Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3287671514
EPA CompTox DTXSID6074207

Structure

InChI Key XBTHILIDLBPRPM-UHFFFAOYSA-N
Smiles Clc1ccccc1-c1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C12H6Cl4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6Cl4
Molecular Weight 289.92
AlogP 5.97
Number of Rotational Bond 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 70362-47-9
NORMAN SUSDAT
FDA SRS 3287671514
PubChem 51041
ChemSpider 46262.0