Acetophenone, 2-(1-imidazolyl)-3'-phenyl-, hydrochloride, hemihydrate
Basic information
- CAS
77234-75-4- Standard SMILES
O=C(C[NH+]1C=CN=C1)c1cccc(-c2ccccc2)c1.[Cl-]- InChIKey
VPGFJWVTMMQIGG-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0872908
Names & identifiers
- Preferred name
- Acetophenone, 2-(1-imidazolyl)-3'-phenyl-, hydrochloride, hemihydrate
- IUPAC
- 2-(1H-imidazol-1-ium-1-yl)-1-(3-phenylphenyl)ethanone chloride
Names & synonyms
77234-75-4ACETOPHENONE, 2-(1-IMIDAZOLYL)-3'-PHENYL-, HYDROCHLORIDE, HEMIHYDRATERefChem:1075911N-((3-Phenylbenzoyl)methyl)imidazole hydrochloride hemihydrate
Database identifiers
- CAS
77234-75-4- PubChem CID
- 53613
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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