Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PUE9VR0TBW
EPA CompTox DTXSID7052735

Structure

InChI Key SHKKTLSDGJRCTR-UHFFFAOYNA-N
Smiles BrCC(Br)c1ccccc1
InChI
InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Br2
Molecular Weight 261.9
AlogP 3.52
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 93-52-7
NORMAN SUSDAT
FDA SRS PUE9VR0TBW
ChemSpider 6878.0