Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZH66B4X2X3
EPA CompTox DTXSID1069037

Structure

InChI Key YYOLVILSZOVWLS-UHFFFAOYSA-N
Smiles CC(=CC=C(Cl)Cl)C
InChI
InChI=1S/C6H8Cl2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8Cl2
Molecular Weight 150.0
AlogP 3.27
Number of Rotational Bond 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 55667-43-1
NORMAN SUSDAT
FDA SRS ZH66B4X2X3
PubChem 108746
ChemSpider 97785.0