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HXX : Summary

Code

HXX

One-letter code

X

Molecule name

3,6-dichloro-2-hydroxybenzoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 3,6-dichloro-2-hydroxybenzoic acid
OpenEye OEToolkits 1.5.0 3,6-dichloro-2-hydroxy-benzoic acid

Formula

C7 H4 Cl2 O3

Formal charge

0

Molecular weight

207.011 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1ccc(Cl)c(C(=O)O)c1O
SMILES CACTVS 3.341 OC(=O)c1c(Cl)ccc(Cl)c1O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1Cl)C(=O)O)O)Cl
Canonical SMILES CACTVS 3.341 OC(=O)c1c(Cl)ccc(Cl)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1Cl)C(=O)O)O)Cl

IUPAC InChI

InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)

IUPAC InChI key

FKIKPQHMWFZFEB-UHFFFAOYSA-N
HXX

wwPDB Information

Atom count

16 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned