Basic information
- CAS
25759-88-0- Standard SMILES
O=C(C[n+]1ccccc1)Nc1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
STCXHTLAWDMEDV-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O3
- Average molar mass
- 293.7 g/mol
- Monoisotopic mass
- 293.0567189
Names & identifiers
- Preferred name
- 1-[2-(4-Nitroanilino)-2-oxoethyl]pyridin-1-ium chloride
- IUPAC
- N-(4-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide chloride
Names & synonyms
25759-88-0CHEMBL22374431-[2-(4-Nitroanilino)-2-oxoethyl]pyridin-1-ium chlorideDTXSID40490587NSC509545NSC-509545
Database identifiers
- CAS
25759-88-0- PubChem CID
- 12331237
- DTXSID
DTXSID40490587- ChEMBL
CHEMBL2237443
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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