Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 689LUC5Q4D
EPA CompTox DTXSID6041767

Structure

InChI Key FUZORIOHZSVKAW-UHFFFAOYSA-N
Smiles ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6Cl8
Molecular Weight 393.8
AlogP 5.54
Number of Rotational Bond 2.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 2550-75-6
NORMAN SUSDAT
FDA SRS 689LUC5Q4D
PubChem 17357
ChemSpider 16424.0