Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FZ6AGF98FL
EPA CompTox DTXSID30166527

Structure

InChI Key IWXYAXGKGAHXPV-UHFFFAOYSA-N
Smiles ClC1(Cl)CCOC1=O
InChI
InChI=1S/C4H4Cl2O2/c5-4(6)1-2-8-3(4)7/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl2O2
Molecular Weight 153.96
AlogP 1.11
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1588-60-9
NORMAN SUSDAT
FDA SRS FZ6AGF98FL
PubChem 74114
ChemSpider 66727.0