Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 46L30TX16V
EPA CompTox DTXSID6027474

Structure

InChI Key WZUZDBPJFHQVJC-UHFFFAOYSA-N
Smiles ClCC(Cl)C(Cl)=C
InChI
InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl3
Molecular Weight 157.95
AlogP 2.59
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2431-50-7
NORMAN SUSDAT
FDA SRS 46L30TX16V
PubChem 17073
ChemSpider 16159.0