Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6KA8IZ4ILW
EPA CompTox DTXSID20178871

Structure

InChI Key NTHFKMZKTASAMH-UHFFFAOYSA-N
Smiles Brc1cc(Br)c(C=C)cc1
InChI
InChI=1S/C8H6Br2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Br2
Molecular Weight 259.88
AlogP 3.85
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 24162-63-8
NORMAN SUSDAT
FDA SRS 6KA8IZ4ILW
PubChem 90377
ChemSpider 81595.0