Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 45N8M9T967
EPA CompTox DTXSID8027244

Structure

InChI Key PQBOTZNYFQWRHU-UHFFFAOYNA-N
Smiles CCC(Cl)CCl
InChI
InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl2
Molecular Weight 126.0
AlogP 2.24
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 616-21-7
NORMAN SUSDAT
FDA SRS 45N8M9T967
ChemSpider 11522.0