N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
Basic information
- CAS
77234-71-0- Standard SMILES
OC(C[NH+]1C=CN=C1)c1ccc(Oc2ccccc2)cc1.[Cl-]- InChIKey
ZJRLAXXWQHSIBZ-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0978555
Overview
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Names & identifiers
- Preferred name
- N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
- IUPAC
- 2-(1H-imidazol-1-ium-1-yl)-1-(4-phenoxyphenyl)ethanol chloride
Names & synonyms
N-((4-Phenoxybenzoyl)methyl)imidazole hydrochloride hydrate
Database identifiers
- CAS
77234-71-0- PubChem CID
- 53605
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
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Compound notes
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