Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RAN8LE8F5N
EPA CompTox DTXSID70211247

Structure

InChI Key KQNBRMUBPRGXSL-UHFFFAOYSA-N
Smiles Clc1ccc(CBr)cc1
InChI
InChI=1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Br1Cl1
Molecular Weight 203.93
AlogP 3.23
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 622-95-7
NORMAN SUSDAT
FDA SRS RAN8LE8F5N
PubChem 69329
ChemSpider 59427.0