Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FNK4D2QCW3
EPA CompTox DTXSID10234238

Structure

InChI Key LSXJPJGBWSZHTM-UHFFFAOYSA-N
Smiles FC1=CC=CC(F)=C1CBr
InChI
InChI=1/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5BrF2
Molecular Weight 205.95
AlogP 2.86
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 85118-00-9
NORMAN SUSDAT
FDA SRS FNK4D2QCW3
PubChem 581435