Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TBE7SE8H6Q
EPA CompTox DTXSID20173402

Structure

InChI Key HVRUGFJYCAFAAN-UHFFFAOYSA-N
Smiles CCc1ccccc1Br
InChI
InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9Br1
Molecular Weight 183.99
AlogP 3.01
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1973-22-4
NORMAN SUSDAT
FDA SRS TBE7SE8H6Q
PubChem 16089
ChemSpider 7383.0