Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PH6UG2P55N
EPA CompTox DTXSID00205533

Structure

InChI Key HVKCZUVMQPUWSX-UHFFFAOYSA-N
Smiles Clc1c(Cl)c(Br)ccc1
InChI
InChI=1S/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)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 56961-77-4
NORMAN SUSDAT
FDA SRS PH6UG2P55N
PubChem 42066
ChemSpider 38364.0