Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40188336

Structure

InChI Key MGHBDQZXPCTTIH-UHFFFAOYSA-N
Smiles Fc1ccc(Br)c(F)c1
InChI
InChI=1S/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Br1F2
Molecular Weight 191.94
AlogP 2.73
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 348-57-2
NORMAN SUSDAT
PubChem 67674
ChemSpider 60993.0