Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 99UY6LZN4R
EPA CompTox DTXSID3066188

Structure

InChI Key LJCZNYWLQZZIOS-UHFFFAOYSA-N
Smiles ClC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Cl4O2
Molecular Weight 209.88
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 17341-93-4
NORMAN SUSDAT
FDA SRS 99UY6LZN4R
PubChem 87063
ChemSpider 78534.0