Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 697LYO57KP
EPA CompTox DTXSID7021782

Structure

InChI Key FIAXCDIQXHJNIX-UHFFFAOYSA-N
Smiles CCc1c(Br)c(Br)c(Br)c(Br)c1Br
InChI
InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5Br5
Molecular Weight 495.63
AlogP 6.06
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 85-22-3
NORMAN SUSDAT
FDA SRS 697LYO57KP
PubChem 6800
ChemSpider 6542.0