Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 11Q6C1GL2E
EPA CompTox DTXSID70861887

Structure

InChI Key KFTODZKBBUMDQB-UHFFFAOYSA-N
Smiles FC(Cl)C(F)(F)Br
InChI
InChI=1/C2HBrClF3/c3-2(6,7)1(4)5/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2HBrClF3
Molecular Weight 195.89
AlogP 2.51
Number of Rotational Bond 1.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 354-06-3
NORMAN SUSDAT
FDA SRS 11Q6C1GL2E
PubChem 9628