Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D2UW5NHW9J
EPA CompTox DTXSID0022220

Structure

InChI Key RULKYXXCCZZKDZ-UHFFFAOYSA-N
Smiles Oc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl4O1
Molecular Weight 229.89
AlogP 4.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4901-51-3
NORMAN SUSDAT
FDA SRS D2UW5NHW9J
PubChem 21013
ChemSpider 19766.0