Basic information
- CAS
24155-31-5- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1ccccc1Cl.O=[N+]([O-])[O-]- InChIKey
PTAOIBUKLJOTDE-UHFFFAOYSA-O- Molecular formula
- C11H10ClN3O4
- Average molar mass
- 283.67 g/mol
- Monoisotopic mass
- 283.0359835
Names & identifiers
- Preferred name
- Acetophenone, 2'-chloro-2-(1-imidazolyl)-, nitrate
- IUPAC
- 1-(2-chlorophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone nitrate
Names & synonyms
ACETOPHENONE, 2'-CHLORO-2-(1-IMIDAZOLYL)-, NITRATERefChem:1075901N-(2-Chlorophenacyl)imidazole nitrate24155-31-5
Database identifiers
- CAS
24155-31-5- PubChem CID
- 32233
Properties
Computed structural properties
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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