Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1433W7U14D
EPA CompTox DTXSID4044533

Structure

InChI Key JAYCNKDKIKZTAF-UHFFFAOYSA-N
Smiles Clc1ccccc1-c1ccccc1Cl
InChI
InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/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 13029-08-8
NORMAN SUSDAT
FDA SRS 1433W7U14D
PubChem 25622
ChemSpider 23886.0