Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HH3D3NJR9N
EPA CompTox DTXSID7061809

Structure

InChI Key VIQBABDKNOOCQD-UHFFFAOYSA-N
Smiles BrC(Br)c1ccc(cc1)C(Br)Br
InChI
InChI=1S/C8H6Br4/c9-7(10)5-1-2-6(4-3-5)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 1592-31-0
NORMAN SUSDAT
FDA SRS HH3D3NJR9N
PubChem 74127
ChemSpider 66740.0