Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PDF3ZL8FTK
EPA CompTox DTXSID6061860

Structure

InChI Key SXYFKXOFMCIXQW-UHFFFAOYSA-N
Smiles O=C(Cl)CC(=O)Cl
InChI
InChI=1/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl2O2
Molecular Weight 139.94
AlogP 0.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1663-67-8
NORMAN SUSDAT
FDA SRS PDF3ZL8FTK
PubChem 74269