Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 451PB8SMIE
EPA CompTox DTXSID9059252

Structure

InChI Key YZIFVWOCPGPNHB-UHFFFAOYSA-N
Smiles ClCc1cc(Cl)c(Cl)cc1
InChI
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3
Molecular Weight 193.95
AlogP 3.73
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 102-47-6
NORMAN SUSDAT
FDA SRS 451PB8SMIE
PubChem 7609
ChemSpider 7327.0