Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L9P458Y58B
EPA CompTox DTXSID80189867

Structure

InChI Key ICKFOGODAXJVSQ-UHFFFAOYSA-N
Smiles Brc1cc(Br)c(C=C)c(Br)c1
InChI
InChI=1S/C8H5Br3/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5Br3
Molecular Weight 337.79
AlogP 4.62
Number of Rotational Bond 1.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 36327-34-1
NORMAN SUSDAT
FDA SRS L9P458Y58B
PubChem 118949
ChemSpider 106293.0