Acetophenone, 2',4'-dichloro-2-(1-imidazolyl)-, nitrate
Basic information
- CAS
24155-29-1- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1ccc(Cl)cc1Cl.O=[N+]([O-])[O-]- InChIKey
QGJNVZSLBLMTIW-UHFFFAOYSA-O- Molecular formula
- C11H9Cl2N3O4
- Average molar mass
- 318.11 g/mol
- Monoisotopic mass
- 316.9970112
Overview
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Names & identifiers
- Preferred name
- Acetophenone, 2',4'-dichloro-2-(1-imidazolyl)-, nitrate
- IUPAC
- 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone nitrate
Names & synonyms
ACETOPHENONE, 2',4'-DICHLORO-2-(1-IMIDAZOLYL)-, NITRATERefChem:107589424155-29-1N-(2,4-Dichlorophenacyl)imidazole nitrateEINECS 246-039-9
Database identifiers
- CAS
24155-29-1- PubChem CID
- 32231
Properties
Computed structural properties
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
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