Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40369143

Structure

InChI Key XRMZKCQCINEBEI-UHFFFAOYSA-N
Smiles Fc1cc(Br)ccc1I
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Br1F1I1
Molecular Weight 299.84
AlogP 3.19
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 105931-73-5
NORMAN SUSDAT
PubChem 2724516
ChemSpider 2006649.0