Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70199975

Structure

InChI Key GAIPRQZXSYSCRD-UHFFFAOYSA-N
Smiles Clc1c(Cl)c2c(cc1)C(=O)OC2=O
InChI
InChI=1S/C8H2Cl2O3/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H2Cl2O3
Molecular Weight 215.94
AlogP 2.3
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 52005-46-6
NORMAN SUSDAT
PubChem 3016714
ChemSpider 2284619.0