Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TTP086070W
EPA CompTox DTXSID0022511

Structure

InChI Key UFNIBRDIUNVOMX-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)-c1ccccc1Cl
InChI
InChI=1S/C12H8Cl2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)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 34883-43-7
NORMAN SUSDAT
FDA SRS TTP086070W
PubChem 36982
ChemSpider 33934.0