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Basic information
- CAS
51658-07-2- Standard SMILES
COC(=O)c1ccccc1NC(=O)c1ccc[nH+]c1.[Cl-]- InChIKey
HSJJACLQQPQZDP-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O3
- Average molar mass
- 292.72 g/mol
- Monoisotopic mass
- 292.06147
Names & identifiers
- Preferred name
- Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
- IUPAC
- methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate chloride
Names & synonyms
2-((3-Pyridinylcarbonyl)amino)benzoic acid methyl ester monohydrochloride51658-07-2BENZOIC ACID, 2-((3-PYRIDINYLCARBONYL)AMINO)-, METHYL ESTER, MONOHYDROCHLORIDERefChem:326653methyl 2-(pyridin-1-ium-3-carbonylamino)benzoate;chlorideMLS001008589HMS2821P11SMR0004958313-({[2-(methoxycarbonyl)phenyl]amino}carbonyl)pyridinium chloride
Database identifiers
- CAS
51658-07-2- PubChem CID
- 40076
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
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Compound notes
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