Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2L3UG3R4FD
EPA CompTox DTXSID70965132

Structure

InChI Key QOPVNWQGBQYBBP-UHFFFAOYSA-N
Smiles O=C(Cl)OC(Cl)C
InChI
InChI=1/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2O2
Molecular Weight 141.96
AlogP 1.95
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 50893-53-3
NORMAN SUSDAT
FDA SRS 2L3UG3R4FD
PubChem 521305