Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 77382IHE37
EPA CompTox DTXSID8020173

Structure

InChI Key HRQGCQVOJVTVLU-UHFFFAOYSA-N
Smiles ClCOCCl
InChI
InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl2O1
Molecular Weight 113.96
AlogP 1.4
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 542-88-1
NORMAN SUSDAT
FDA SRS 77382IHE37
PubChem 10967
ChemSpider 21106500.0