Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MTF8V3HX3H
EPA CompTox DTXSID9060813

Structure

InChI Key OXHOPZLBSSTTBU-UHFFFAOYSA-N
Smiles BrCc1cc(CBr)ccc1
InChI
InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)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 626-15-3
NORMAN SUSDAT
FDA SRS MTF8V3HX3H
PubChem 69373
ChemSpider 62581.0