Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VP9ZGQ3EN2
EPA CompTox DTXSID30188406

Structure

InChI Key QUCLHUUEEKVBGT-UHFFFAOYSA-N
Smiles COCC(Cl)Cl
InChI
InChI=1S/C3H6Cl2O/c1-6-2-3(4)5/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl2O1
Molecular Weight 127.98
AlogP 1.44
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 34862-07-2
NORMAN SUSDAT
FDA SRS VP9ZGQ3EN2
PubChem 118742
ChemSpider 106110.0