Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZGN07HXZ5R
EPA CompTox DTXSID7022207

Structure

InChI Key ACCHWUWBKYGKNM-UHFFFAOYSA-N
Smiles Oc1c(O)cc(Cl)c(Cl)c1
InChI
InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2O2
Molecular Weight 177.96
AlogP 2.4
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3428-24-8
NORMAN SUSDAT
FDA SRS ZGN07HXZ5R
PubChem 18909
ChemSpider 17855.0