Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 56CE3A79HB
EPA CompTox DTXSID1061526

Structure

InChI Key AGULWIQIYWWFBJ-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(=O)OC1=O
InChI
InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7

Physicochemical Descriptors

Property Name Value
Molecular Formula C4Cl2O3
Molecular Weight 165.92
AlogP 0.76
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1122-17-4
NORMAN SUSDAT
FDA SRS 56CE3A79HB
PubChem 70728
ChemSpider 63893.0