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

Structure

InChI Key OSTIALFVJOFNPP-UHFFFAOYSA-N
Smiles FC(F)(F)c1cc(Cl)ccc1Br
InChI
InChI=1S/C7H3BrClF3/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3Br1Cl1F3
Molecular Weight 257.91
AlogP 4.12
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 344-65-0
NORMAN SUSDAT