3,6-dichloro-2-hydroxybenzoic acid
type: datablock
datablock name: HXX
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory
has pdbx chem comp synonyms category: pdbx chem comp synonymsCategory

HXX
type: chem comp
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
chem comp.id: HXX
chem comp.formula: C7 H4 Cl2 O3
chem comp.formula weight: 207.011
chem comp.name: 3,6-dichloro-2-hydroxybenzoic acid
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2009-03-13
chem comp.pdbx model coordinates db code: 3GL0
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2020-06-17
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx synonyms: 3,6 dichlorosalicylic acid
chem comp.pdbx type: HETAIN
chem comp.three letter code: HXX
chem comp.type: non-polymer

C2,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C2
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: -44.521
chem comp atom.model cartn y: 21.153
chem comp atom.model cartn z: 8.741
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C2
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.837
chem comp atom.pdbx model cartn y ideal: -0.610
chem comp atom.pdbx model cartn z ideal: -0.026
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C3,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C3
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: -44.848
chem comp atom.model cartn y: 19.835
chem comp atom.model cartn z: 9.048
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C3
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.782
chem comp atom.pdbx model cartn y ideal: 0.405
chem comp atom.pdbx model cartn z ideal: 0.004
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C4,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C4
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: -43.949
chem comp atom.model cartn y: 18.798
chem comp atom.model cartn z: 8.883
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C4
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.380
chem comp atom.pdbx model cartn y ideal: 1.726
chem comp atom.pdbx model cartn z ideal: 0.033
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C5,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C5
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: -42.689
chem comp atom.model cartn y: 19.058
chem comp atom.model cartn z: 8.366
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C5
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.033
chem comp atom.pdbx model cartn y ideal: 2.049
chem comp atom.pdbx model cartn z ideal: 0.033
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C6,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C6
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: -42.352
chem comp atom.model cartn y: 20.361
chem comp atom.model cartn z: 8.101
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C6
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.921
chem comp atom.pdbx model cartn y ideal: 1.054
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O1',HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O1'
chem comp atom.comp id: HXX
chem comp atom.alt atom id: O1'
chem comp atom.charge: 0
chem comp atom.model cartn x: -43.048
chem comp atom.model cartn y: 23.146
chem comp atom.model cartn z: 6.644
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O1'
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.956
chem comp atom.pdbx model cartn y ideal: -1.769
chem comp atom.pdbx model cartn z ideal: -1.132
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C1',HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C1'
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C1'
chem comp atom.charge: 0
chem comp atom.model cartn x: -42.926
chem comp atom.model cartn y: 22.812
chem comp atom.model cartn z: 7.851
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C1'
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.541
chem comp atom.pdbx model cartn y ideal: -1.358
chem comp atom.pdbx model cartn z ideal: -0.066
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O2',HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O2'
chem comp atom.comp id: HXX
chem comp atom.alt atom id: O2'
chem comp atom.charge: 0
chem comp atom.model cartn x: -42.547
chem comp atom.model cartn y: 23.610
chem comp atom.model cartn z: 8.744
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O2'
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.008
chem comp atom.pdbx model cartn y ideal: -1.879
chem comp atom.pdbx model cartn z ideal: 1.085
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C1,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: C1
chem comp atom.comp id: HXX
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: -43.272
chem comp atom.model cartn y: 21.399
chem comp atom.model cartn z: 8.231
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C1
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.528
chem comp atom.pdbx model cartn y ideal: -0.289
chem comp atom.pdbx model cartn z ideal: -0.033
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O2,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: O2
chem comp atom.comp id: HXX
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: -45.418
chem comp atom.model cartn y: 22.178
chem comp atom.model cartn z: 8.941
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O2
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.231
chem comp atom.pdbx model cartn y ideal: -1.908
chem comp atom.pdbx model cartn z ideal: -0.055
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CL1,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: CL1
chem comp atom.comp id: HXX
chem comp atom.alt atom id: CL1
chem comp atom.charge: 0
chem comp atom.model cartn x: -46.444
chem comp atom.model cartn y: 19.490
chem comp atom.model cartn z: 9.747
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL1
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.474
chem comp atom.pdbx model cartn y ideal: 0.014
chem comp atom.pdbx model cartn z ideal: 0.005
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

CL2,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: CL2
chem comp atom.comp id: HXX
chem comp atom.alt atom id: CL2
chem comp atom.charge: 0
chem comp atom.model cartn x: -40.793
chem comp atom.model cartn y: 20.736
chem comp atom.model cartn z: 7.319
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL2
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.608
chem comp atom.pdbx model cartn y ideal: 1.465
chem comp atom.pdbx model cartn z ideal: 0.003
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

H4,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: HXX
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: -44.227
chem comp atom.model cartn y: 17.790
chem comp atom.model cartn z: 9.155
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.120
chem comp atom.pdbx model cartn y ideal: 2.512
chem comp atom.pdbx model cartn z ideal: 0.057
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: HXX
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: -41.991
chem comp atom.model cartn y: 18.256
chem comp atom.model cartn z: 8.177
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.272
chem comp atom.pdbx model cartn y ideal: 3.085
chem comp atom.pdbx model cartn z ideal: 0.057
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO2',HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: HO2'
chem comp atom.comp id: HXX
chem comp atom.alt atom id: HO2'
chem comp atom.charge: 0
chem comp atom.model cartn x: -42.380
chem comp atom.model cartn y: 24.462
chem comp atom.model cartn z: 8.358
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO2'
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.672
chem comp atom.pdbx model cartn y ideal: -2.578
chem comp atom.pdbx model cartn z ideal: 1.013
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

HO2,HXX
type: chem comp atom
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
chem comp atom.atom id: HO2
chem comp atom.comp id: HXX
chem comp atom.alt atom id: HO2
chem comp atom.charge: 0
chem comp atom.model cartn x: -45.625
chem comp atom.model cartn y: 22.243
chem comp atom.model cartn z: 9.866
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO2
chem comp atom.pdbx component comp id: HXX
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.340
chem comp atom.pdbx model cartn y ideal: -2.306
chem comp atom.pdbx model cartn z ideal: 0.820
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C1,C2,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C2,O2,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: O2
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C2,C3,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,C3,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C3
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C3,CL1,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: CL1
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C5,C4,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C4
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C4,H4,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C5,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C5
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C5,H5,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CL2,C6,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: CL2
chem comp bond.atom id 2: C6
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C6,C1,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C1
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O1',C1',HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: O1'
chem comp bond.atom id 2: C1'
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C1',C1,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: C1
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C1',O2',HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: C1'
chem comp bond.atom id 2: O2'
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O2',HO2',HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: O2'
chem comp bond.atom id 2: HO2'
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O2,HO2,HXX
type: chem comp bond
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/HXX/chem_comp_atom/,
chem comp bond.atom id 1: O2
chem comp bond.atom id 2: HO2
chem comp bond.comp id: HXX
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,HXX,2009-03-13
type: pdbx chem comp audit
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: HXX
pdbx chem comp audit.date: 2009-03-13
pdbx chem comp audit.processing site: RCSB

Modify aromatic flag,HXX,2011-06-04
type: pdbx chem comp audit
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify aromatic_flag
pdbx chem comp audit.comp id: HXX
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

Modify descriptor,HXX,2011-06-04
type: pdbx chem comp audit
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: HXX
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

Modify synonyms,HXX,2020-06-05
type: pdbx chem comp audit
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify synonyms
pdbx chem comp audit.comp id: HXX
pdbx chem comp audit.date: 2020-06-05
pdbx chem comp audit.processing site: PDBE

HXX,ACDLabs,10.04,SMILES
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 10.04
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Clc1ccc(Cl)c(C(=O)O)c1O

HXX,CACTVS,3.341,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: OC(=O)c1c(Cl)ccc(Cl)c1O

HXX,CACTVS,3.341,SMILES
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.341
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: OC(=O)c1c(Cl)ccc(Cl)c1O

HXX,OpenEye OEToolkits,1.5.0,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc(c(c(c1Cl)C(=O)O)O)Cl

HXX,OpenEye OEToolkits,1.5.0,SMILES
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.5.0
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc(c(c(c1Cl)C(=O)O)O)Cl

HXX,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)

HXX,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: HXX
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: FKIKPQHMWFZFEB-UHFFFAOYSA-N

HXX,ACDLabs,10.04,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: HXX
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 10.04
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 3,6-dichloro-2-hydroxybenzoic acid

HXX,OpenEye OEToolkits,1.5.0,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: HXX
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.5.0
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 3,6-dichloro-2-hydroxy-benzoic acid

HXX,1
type: pdbx chem comp synonyms
of datablock: 3,6-dichloro-2-hydroxybenzoic acid
reference to chem comp: chem comp
pdbx chem comp synonyms.comp id: HXX
pdbx chem comp synonyms.ordinal: 1
pdbx chem comp synonyms.name: 3,6 dichlorosalicylic acid