Basic information
- CAS
77234-72-1- Standard SMILES
CC(C)(C)c1ccc(C(=O)C[NH+]2C=CN=C2)cc1.[Cl-]- InChIKey
PRHDJBQOGSBATB-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- Acetophenone, 4'-tert-butyl-2-(1-imidazolyl)-, hydrochloride
- IUPAC
- 1-(4-tert-butylphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride
Names & synonyms
77234-72-1ACETOPHENONE, 4'-tert-BUTYL-2-(1-IMIDAZOLYL)-, HYDROCHLORIDERefChem:1075982N-((4-tert-Butylbenzoyl)methyl)imidazole hydrochloride
Database identifiers
- CAS
77234-72-1- PubChem CID
- 53607
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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