Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YH4YQB3GEF
EPA CompTox DTXSID90164600

Structure

InChI Key VLDPXPPHXDGHEW-UHFFFAOYSA-N
Smiles Clc1c(OP(=O)(Cl)Cl)cccc1
InChI
InChI=1S/C6H4Cl3O2P/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl3O2P1
Molecular Weight 243.9
AlogP 4.3
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 15074-54-1
NORMAN SUSDAT
FDA SRS YH4YQB3GEF
PubChem 84775
ChemSpider 76478.0