Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40176970

Structure

InChI Key TXQPIYKVIOKFAB-UHFFFAOYSA-N
Smiles ClC1(Cl)OC(=O)OC1(Cl)Cl
InChI
InChI=1S/C3Cl4O3/c4-2(5)3(6,7)10-1(8)9-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl4O3
Molecular Weight 223.86
AlogP 2.42
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 22432-68-4
NORMAN SUSDAT
PubChem 2724978
ChemSpider 2007092.0