Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UH4UQC7QU2
EPA CompTox DTXSID6068694

Structure

InChI Key HIOZXJLZFVEQCC-UHFFFAOYSA-N
Smiles Clc1cc2c(C(=O)OC2=O)c(Cl)c1
InChI
InChI=1S/C8H2Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)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 51971-64-3
NORMAN SUSDAT
FDA SRS UH4UQC7QU2
PubChem 104034
ChemSpider 93922.0