Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9FRJ55E5UL
EPA CompTox DTXSID2059019

Structure

InChI Key KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Smiles BrCc1c(CBr)cccc1
InChI
InChI=1S/C8H8Br2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Br2
Molecular Weight 261.9
AlogP 3.48
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 91-13-4
NORMAN SUSDAT
FDA SRS 9FRJ55E5UL
PubChem 66665
ChemSpider 60032.0