Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1GV6MXB8TD
EPA CompTox DTXSID4021638

Structure

InChI Key OQOGEOLRYAOSKO-UHFFFAOYSA-N
Smiles CC(Cl)(Cl)[N+](=O)[O-]
InChI
InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3Cl2N1O2
Molecular Weight 142.95
AlogP 1.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 594-72-9
NORMAN SUSDAT
FDA SRS 1GV6MXB8TD
PubChem 11674
ChemSpider 11184.0