Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JBS4766KF8
EPA CompTox DTXSID40227411

Structure

InChI Key LZIYAIRGDHSVED-UHFFFAOYSA-N
Smiles Clc1cc(CBr)ccc1
InChI
InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/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 766-80-3
NORMAN SUSDAT
FDA SRS JBS4766KF8
PubChem 69838
ChemSpider 14927.0