Basic information
- CAS
77234-68-5- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
UWMYYVKXEQTENE-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O3
- Average molar mass
- 267.67 g/mol
- Monoisotopic mass
- 267.0410689
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-4'-nitro-, hydrochloride
- IUPAC
- 2-(1H-imidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone chloride
Names & synonyms
77234-68-5ACETOPHENONE, 2-(1-IMIDAZOLYL)-4'-NITRO-, HYDROCHLORIDERefChem:1075913N-((4-Nitrobenzoyl)methyl)imidazole hydrochloride
Database identifiers
- CAS
77234-68-5- PubChem CID
- 53599
Properties
Computed structural properties
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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