Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 53REV65E85
EPA CompTox DTXSID30195690

Structure

InChI Key ONZQYZKCUHFORE-UHFFFAOYSA-N
Smiles O=C(CBr)C(F)(F)F
InChI
InChI=1/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2BrF3O
Molecular Weight 189.92
AlogP 1.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 431-35-6
NORMAN SUSDAT
FDA SRS 53REV65E85
PubChem 79008