Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9C89FK3LWL
EPA CompTox DTXSID20224741

Structure

InChI Key VQJFMEVGEQWOFW-UHFFFAOYSA-N
Smiles ClCc1ccc(cc1)C(Cl)Cl
InChI
InChI=1S/C8H7Cl3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7Cl3
Molecular Weight 207.96
AlogP 3.9
Number of Rotational Bond 2.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 7398-44-9
NORMAN SUSDAT
FDA SRS 9C89FK3LWL
PubChem 81883
ChemSpider 73891.0