Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7021576

Structure

InChI Key CSVFWMMPUJDVKH-UHFFFAOYSA-N
Smiles CC(=O)C(Cl)Cl
InChI
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O1
Molecular Weight 125.96
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 513-88-2
NORMAN SUSDAT
PubChem 10567
ChemSpider 21106512.0