Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X5P8J2T79T
EPA CompTox DTXSID30192684

Structure

InChI Key ILZQVEFCITYZFF-UHFFFAOYSA-N
Smiles ClCc1c(Br)c(Br)c(CCl)c(Br)c1Br
InChI
InChI=1S/C8H4Br4Cl2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Br4Cl2
Molecular Weight 485.64
AlogP 6.21
Number of Rotational Bond 2.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 39568-98-4
NORMAN SUSDAT
FDA SRS X5P8J2T79T
PubChem 3016089
ChemSpider 2284093.0