Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5REG09UJO0
EPA CompTox DTXSID4022151

Structure

InChI Key RRBMVWQICIXSEO-UHFFFAOYSA-N
Smiles Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl4O2
Molecular Weight 245.88
AlogP 3.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1198-55-6
NORMAN SUSDAT
FDA SRS 5REG09UJO0
PubChem 14537
ChemSpider 13880.0