Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20186471

Structure

InChI Key CSVCVIHEBDJTCJ-UHFFFAOYSA-N
Smiles FC(F)(F)C1=CC(Br)=CC(=C1)C(F)(F)F
InChI
InChI=1/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3BrF6
Molecular Weight 291.93
AlogP 4.49
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 328-70-1
NORMAN SUSDAT
PubChem 67602