Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70728087

Structure

InChI Key UJJSQULCWJOFRO-UHFFFAOYSA-N
Smiles ClCc1c(Br)c(Br)c(Br)c(Br)c1Br
InChI
InChI=1S/C7H2Br5Cl/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H2Br5Cl1
Molecular Weight 515.58
AlogP 6.24
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 58495-09-3
NORMAN SUSDAT
PubChem 57838204
ChemSpider 32678351.0