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

Base Information

• Chemical Name: 3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium bromide
• CAS No.: 111977-04-9
• Molecular Formula: C18H12F3N2.Br
• DSSTox Substance ID: DTXSID00556077

Synonyms:111977-04-9;DTXSID00556077;3-Cyano-1-{[3-(trifluoromethyl)phenyl]methyl}quinolin-1-ium bromide

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

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 392.01360
• Heavy Atom Count: 24
• Complexity: 453

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

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

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