Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X45692CHP5
EPA CompTox DTXSID9074640

Structure

InChI Key QOGHRLGTXVMRLM-UHFFFAOYSA-N
Smiles Cc1ccc(Br)cc1C
InChI
InChI=1S/C8H9Br/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Br1
Molecular Weight 183.99
AlogP 3.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 583-71-1
NORMAN SUSDAT
FDA SRS X45692CHP5
PubChem 68504
ChemSpider 13875357.0