Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6WI1338739
EPA CompTox DTXSID20207630

Structure

InChI Key BSIIGUGKOPPTPZ-UHFFFAOYSA-N
Smiles ClCc1ccc(Br)cc1
InChI
InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Br1Cl1
Molecular Weight 203.93
AlogP 3.19
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 589-17-3
NORMAN SUSDAT
FDA SRS 6WI1338739
PubChem 68528
ChemSpider 61803.0