Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0CQX1ANG4H
EPA CompTox DTXSID4059885

Structure

InChI Key ZBHDTYQJAQDBIH-UHFFFAOYSA-N
Smiles O=C(Cl)CF
InChI
InChI=1/C2H2ClFO/c3-2(5)1-4/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2ClFO
Molecular Weight 95.98
AlogP 0.72
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 359-06-8
NORMAN SUSDAT
FDA SRS 0CQX1ANG4H
PubChem 9663