Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R29673M83F
EPA CompTox DTXSID10186581

Structure

InChI Key RDDWGNUSHLFXED-UHFFFAOYSA-N
Smiles COC(=O)c1cc(Cl)c(cc1Cl)C(=O)OC
InChI
InChI=1S/C10H8Cl2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8Cl2O4
Molecular Weight 261.98
AlogP 2.57
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 3293-89-8
NORMAN SUSDAT
FDA SRS R29673M83F
PubChem 76797
ChemSpider 69253.0