Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3WG2H68VX4
EPA CompTox DTXSID7022255

Structure

InChI Key LNAOKZKISWEZNY-UHFFFAOYSA-N
Smiles BrC(Br)c1c(cccc1)C(Br)Br
InChI
InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Br4
Molecular Weight 417.72
AlogP 5.26
Number of Rotational Bond 2.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13209-15-9
NORMAN SUSDAT
FDA SRS 3WG2H68VX4
PubChem 83234
ChemSpider 75099.0