Basic information
- CAS
103091-50-5- Standard SMILES
Cc1[nH]c(-c2ccccc2)nc1CC#N.Cl- InChIKey
AEWQZRUZPLJFAS-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0719751
Names & identifiers
- Preferred name
- 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride
- IUPAC
- 2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile;hydrochloride
Names & synonyms
103091-50-51H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monohydrochloride2-(4-Methyl-2-phenyl-1H-imidazol-5-yl)acetonitrile hydrochlorideDTXSID90145636(5-Methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile--hydrogen chloride (1/1)
Database identifiers
- CAS
103091-50-5- PubChem CID
- 190481
- DTXSID
DTXSID90145636
Properties
Computed structural properties
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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