Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1XTP1GFW2A
EPA CompTox DTXSID3022166

Structure

InChI Key XJFZOSUFGSANIF-UHFFFAOYSA-N
Smiles ClCC(=C)CCl
InChI
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Cl2
Molecular Weight 123.98
AlogP 2.02
Number of Rotational Bond 2.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1871-57-4
NORMAN SUSDAT
FDA SRS 1XTP1GFW2A
PubChem 15859
ChemSpider 15073.0