Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T5YRU2P3EP
EPA CompTox DTXSID30193196

Structure

InChI Key IKSNDOVDVVPSMA-UHFFFAOYSA-N
Smiles FC(F)(F)C1=CC=C(C=C1)CBr
InChI
InChI=1/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6BrF3
Molecular Weight 237.96
AlogP 3.6
Number of Rotational Bond 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 402-49-3
NORMAN SUSDAT
FDA SRS T5YRU2P3EP
PubChem 123062