Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AE85WW9S5Z
EPA CompTox DTXSID6044987

Structure

InChI Key TXFOLHZMICYNRM-UHFFFAOYSA-N
Smiles ClP(=O)(Cl)Oc1ccccc1
InChI
InChI=1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl2O2P1
Molecular Weight 209.94
AlogP 3.65
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 770-12-7
NORMAN SUSDAT
FDA SRS AE85WW9S5Z
PubChem 13038
ChemSpider 12496.0