4-Chloropicolinic acid ethyl ester N-oxide
Basic information
- CAS
850897-67-5- Standard SMILES
CCOC(=O)c1cc(Cl)cc[n+]1[O-]- InChIKey
IGIAUNUEPGTSSW-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO3
- Average molar mass
- 201.61 g/mol
- Monoisotopic mass
- 201.0192708
Names & identifiers
- Preferred name
- 4-Chloropicolinic acid ethyl ester N-oxide
- IUPAC
- ethyl 4-chloro-1-oxidopyridin-1-ium-2-carboxylate
Names & synonyms
4-Chloropicolinic acid ethyl ester N-oxide850897-67-5SCHEMBL3109395DTXSID50731377IGIAUNUEPGTSSW-UHFFFAOYSA-NEthyl 4-chloro-2-pyridinecarboxylate 1-oxideEthyl 4-chloro-1-oxo-1lambda~5~-pyridine-2-carboxylate
Database identifiers
- CAS
850897-67-5- PubChem CID
- 59258554
- DTXSID
DTXSID50731377
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Related reactions
2 records
Compound notes
Loading…