Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00173006

Structure

InChI Key UWOIDOQAQPUVOH-UHFFFAOYSA-N
Smiles Clc1cccc(Cl)c1Br
InChI
InChI=1S/C6H3BrCl2/c7-6-4(8)2-1-3-5(6)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 19393-92-1
NORMAN SUSDAT
PubChem 29568
ChemSpider 14309.0