Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 35R7J07E3D
EPA CompTox DTXSID7073480

Structure

InChI Key KKQWHYGECTYFIA-UHFFFAOYSA-N
Smiles Clc1ccc(Cl)c(c1)-c1ccccc1
InChI
InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl2
Molecular Weight 222.0
AlogP 4.66
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 34883-39-1
NORMAN SUSDAT
FDA SRS 35R7J07E3D
PubChem 36980
ChemSpider 33932.0