Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G4Y9VC52AF
EPA CompTox DTXSID4060814

Structure

InChI Key GRJWOKACBGZOKT-UHFFFAOYSA-N
Smiles ClCc1cc(CCl)ccc1
InChI
InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl2
Molecular Weight 174.0
AlogP 3.16
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 626-16-4
NORMAN SUSDAT
FDA SRS G4Y9VC52AF
PubChem 12275
ChemSpider 510601.0