Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3D1TTL8BGN
EPA CompTox DTXSID5044445

Structure

InChI Key YLRBJYMANQKEAW-UHFFFAOYSA-N
Smiles BrCc1ccc(Br)cc1
InChI
InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Br2
Molecular Weight 247.88
AlogP 3.34
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 589-15-1
NORMAN SUSDAT
FDA SRS 3D1TTL8BGN
PubChem 68527
ChemSpider 61802.0