Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7A9X1C3I3O
EPA CompTox DTXSID1020279

Structure

InChI Key OHXAOPZTJOUYKM-UHFFFAOYSA-N
Smiles CC(=C)CCl
InChI
InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl1
Molecular Weight 90.02
AlogP 1.8
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 563-47-3
NORMAN SUSDAT
FDA SRS 7A9X1C3I3O
PubChem 11241
ChemSpider 10766.0