Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J162866K95
EPA CompTox DTXSID5044732

Structure

InChI Key IBDMRHDXAQZJAP-UHFFFAOYSA-N
Smiles ClP(=O)(Cl)c1ccccc1
InChI
InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl2O1P1
Molecular Weight 193.95
AlogP 2.98
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 824-72-6
NORMAN SUSDAT
FDA SRS J162866K95
PubChem 69990
ChemSpider 63182.0