Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H42AYQ2XFZ
EPA CompTox DTXSID40240286

Structure

InChI Key QECZMYGJNDGESU-UHFFFAOYSA-N
Smiles FC(F)(F)C=1C=CC=CC1CCBr
InChI
InChI=1/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8BrF3
Molecular Weight 251.98
AlogP 3.64
Number of Rotational Bond 2.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 94022-95-4
NORMAN SUSDAT
FDA SRS H42AYQ2XFZ
PubChem 3023321