Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 23U2QRR4DQ
EPA CompTox DTXSID1060681

Structure

InChI Key WHIHIKVIWVIIER-UHFFFAOYSA-N
Smiles ClC(=O)c1cc(Cl)ccc1
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)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 618-46-2
NORMAN SUSDAT
FDA SRS 23U2QRR4DQ
PubChem 69252
ChemSpider 62465.0