SODIUM 3,4-DICHLOROBENZENESULPHONATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key AIXLZRHUNVRXTR-UHFFFAOYSA-M
Smiles [Na+].O=S(=O)([O-])C1=CC=C(Cl)C(Cl)=C1
InChI
InChI=1/C6H4Cl2O3S.Na/c7-5-2-1-4(3-6(5)8)12(9,10)11;/h1-3H,(H,9,10,11);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O3S
Molecular Weight 247.91
AlogP -1.1
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 57.2
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 38950-28-6
NORMAN SUSDAT
PubChem 253535
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