Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GZT46P7R49
EPA CompTox DTXSID7060205

Structure

InChI Key IWYBVQLPTCMVFO-UHFFFAOYSA-N
Smiles CCOC(=O)C(Cl)Cl
InChI
InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Cl2O2
Molecular Weight 155.97
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 535-15-9
NORMAN SUSDAT
FDA SRS GZT46P7R49
PubChem 10808
ChemSpider 10351.0