3-Cyano-1-{[4-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Base Information

• Chemical Name: 3-Cyano-1-{[4-(trifluoromethyl)phenyl]methyl}quinolin-1-ium
• CAS No.: 89321-45-9
• Molecular Formula: C₁₈H₁₂F₃N₂
• Molecular Weight: 313.302
• DSSTox Substance ID: DTXSID40556076
• Wikidata: Q82437547

Synonyms:89321-45-9;DTXSID40556076;3-Cyano-1-{[4-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Chemical Property of 3-Cyano-1-{[4-(trifluoromethyl)phenyl]methyl}quinolin-1-ium

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 313.09525788
• Heavy Atom Count: 23
• Complexity: 445

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=[N+]2CC3=CC=C(C=C3)C(F)(F)F)C#N

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