Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4IP5DTW75U
EPA CompTox DTXSID3027407

Structure

InChI Key YZBOZNXACBQJHI-UHFFFAOYSA-N
Smiles CCOP(=O)(Cl)Cl
InChI
InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5Cl2O2P1
Molecular Weight 161.94
AlogP 2.61
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1498-51-7
NORMAN SUSDAT
FDA SRS 4IP5DTW75U
PubChem 15158
ChemSpider 14429.0