Keyword(s): Human Metabolites
Molecule Category Free-form
UNII POU26V2XT2
EPA CompTox DTXSID1059072

Structure

InChI Key HQJQYILBCQPYBI-UHFFFAOYSA-N
Smiles Brc1ccc(cc1)-c1ccc(Br)cc1
InChI
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Br2
Molecular Weight 309.9
AlogP 4.88
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 92-86-4
NORMAN SUSDAT
FDA SRS POU26V2XT2
PubChem 7110
ChemSpider 6843.0