Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IA19EYW12D
EPA CompTox DTXSID8022113

Structure

InChI Key XVEASTGLHPVZNA-UHFFFAOYSA-N
Smiles ClCC(Cl)C=C
InChI
InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2

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 760-23-6
NORMAN SUSDAT
FDA SRS IA19EYW12D
PubChem 12971
ChemSpider 12431.0