Basic information
- CAS
97805-08-8- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1ccccc1.O=[N+]([O-])[O-]- InChIKey
MATZBXZUSOMCFL-UHFFFAOYSA-O- Molecular formula
- C11H11N3O4
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.07495584
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-, nitrate
- IUPAC
- 2-(1H-imidazol-1-ium-1-yl)-1-phenylethanone nitrate
Names & synonyms
ACETOPHENONE, 2-(1-IMIDAZOLYL)-, NITRATE97805-08-8RefChem:1075909N-Phenylacylimidazole nitrate
Database identifiers
- CAS
97805-08-8- PubChem CID
- 57321
Properties
Computed structural properties
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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