Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2TLD7NMU69
EPA CompTox DTXSID40183841

Structure

InChI Key PHDKZIIWDGIUCG-UHFFFAOYSA-N
Smiles Clc1cc(Cl)c(Cl)cc1Br
InChI
InChI=1S/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Br1Cl3
Molecular Weight 257.84
AlogP 4.41
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29682-44-8
NORMAN SUSDAT
FDA SRS 2TLD7NMU69
PubChem 122453
ChemSpider 14309.0