Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T9UF4Y3QMS
EPA CompTox DTXSID7059935

Structure

InChI Key GVCAWQUJCHZRCB-UHFFFAOYSA-N
Smiles CCOC(=O)C(F)(F)Cl
InChI
InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1F2O2
Molecular Weight 157.99
AlogP 1.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 383-62-0
NORMAN SUSDAT
FDA SRS T9UF4Y3QMS
PubChem 67843
ChemSpider 61160.0