Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J28T4D661G
EPA CompTox DTXSID6041680

Structure

InChI Key DAASOABUJRMZAD-UHFFFAOYSA-N
Smiles ClC1=C(Cl)[C@@]2(Cl)[C@@H](CBr)C[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H5Br1Cl6
Molecular Weight 389.77
AlogP 5.23
Number of Rotational Bond 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 1715-40-8
NORMAN SUSDAT
FDA SRS J28T4D661G
PubChem 91617740
ChemSpider 34451891.0