Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9GT3DHH725
EPA CompTox DTXSID3021560

Structure

InChI Key NWQWQKUXRJYXFH-UHFFFAOYSA-N
Smiles ClC(Cl)C=O
InChI
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl2O1
Molecular Weight 111.95
AlogP 0.99
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 79-02-7
NORMAN SUSDAT
FDA SRS 9GT3DHH725
PubChem 6576
ChemSpider 21106511.0