Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JR29A4N74X
EPA CompTox DTXSID9060572

Structure

InChI Key ONIKNECPXCLUHT-UHFFFAOYSA-N
Smiles ClC(=O)c1c(Cl)cccc1
InChI
InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl2O1
Molecular Weight 173.96
AlogP 2.72
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 609-65-4
NORMAN SUSDAT
FDA SRS JR29A4N74X
PubChem 69110
ChemSpider 62327.0