Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q9HS4N7D3M
EPA CompTox DTXSID4051530

Structure

InChI Key JQZAEUFPPSRDOP-UHFFFAOYSA-N
Smiles ClCc1ccc(Cl)cc1
InChI
InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Cl2
Molecular Weight 159.98
AlogP 3.08
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 104-83-6
NORMAN SUSDAT
FDA SRS Q9HS4N7D3M
PubChem 7723
ChemSpider 7437.0