Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JH4WS74VHF
EPA CompTox DTXSID10206637

Structure

InChI Key AMMGCGVWJMRTQI-UHFFFAOYSA-N
Smiles CC(=C)OC(=O)Cl
InChI
InChI=1S/C4H5ClO2/c1-3(2)7-4(5)6/h1H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1O2
Molecular Weight 120.0
AlogP 1.9
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 57933-83-2
NORMAN SUSDAT
FDA SRS JH4WS74VHF
PubChem 93846
ChemSpider 84705.0