Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GP679I31BO
EPA CompTox DTXSID0041856

Structure

InChI Key UMPSXRYVXUPCOS-UHFFFAOYSA-N
Smiles Oc1cccc(Cl)c1Cl
InChI
InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O1
Molecular Weight 161.96
AlogP 2.7
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 25167-81-1
NORMAN SUSDAT
FDA SRS GP679I31BO
PubChem 11334
ChemSpider 10857.0