Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2Z4G4Z84UU
EPA CompTox DTXSID10152408

Structure

InChI Key ISHYFWKKWKXXPL-UHFFFAOYSA-N
Smiles Clc1cc(Cl)c(Br)cc1
InChI
InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Br1Cl2
Molecular Weight 223.88
AlogP 3.76
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1193-72-2
NORMAN SUSDAT
FDA SRS 2Z4G4Z84UU
PubChem 70947
ChemSpider 38364.0