2-(Benzyloxy)-1-methylpyridin-1-ium trifluoromethanesulfonate

• Catalog: OFC882980430
• CAS: 882980-43-0
• Category: Trifluoromethylation Agents
• Synonyms: Dudley Reagent
• Purity: 96%
• MDL Number: MFCD09265129

• IUPAC Name: 1-methyl-2-phenylmethoxypyridin-1-ium;trifluoromethanesulfonate
• InChI: InChI=1S/C13H14NO.CHF3O3S/c1-14-10-6-5-9-13(14)15-11-12-7-3-2-4-8-12;2-1(3,4)8(5,6)7/h2-10H,11H2,1H3;(H,5,6,7)/q+1;/p-1
• InChI Key: DUXHYQYOPHEFGC-UHFFFAOYSA-M
• Isomeric SMILES: C[N+]1=CC=CC=C1OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
• EC Number: 626-181-1

• Molecular Formula: C14H14F3NO4S
• Molecular Weight: 349.33
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 349.05956359 g/mol
• Monoisotopic Mass: 349.05956359 g/mol
• Topological Polar Surface Area: 78.7Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 322