Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DOF6S5DT2R
EPA CompTox DTXSID0022515

Structure

InChI Key YTBRNEUEFCNVHC-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)-c1ccc(Cl)cc1
InChI
InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/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 2050-68-2
NORMAN SUSDAT
FDA SRS DOF6S5DT2R
PubChem 16308
ChemSpider 15474.0