(4-Fluorophenyl)diphenylsulfonium trifluoromethanesulfonate

• Catalog: OFC154093579
• CAS: 154093-57-9
• Category: Trifluoromethylation Agents
• Purity: 97%
• MDL Number: MFCD02683571

• IUPAC Name: (4-fluorophenyl)-diphenylsulfanium;trifluoromethanesulfonate
• InChI: InChI=1S/C18H14FS.CHF3O3S/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;2-1(3,4)8(5,6)7/h1-14H;(H,5,6,7)/q+1;/p-1
• InChI Key: SGYQZOQILXLBIB-UHFFFAOYSA-M
• Isomeric SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=C(C=C3)F.C(F)(F)(F)S(=O)(=O)[O-]
• EC Number: 622-843-9

• Molecular Formula: C19H14F4O3S2
• Molecular Weight: 430.44

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 430.03204930 g/mol
• Monoisotopic Mass: 430.03204930 g/mol
• Topological Polar Surface Area: 66.6Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 400