5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium tetrafluoroborate

• Catalog: OFC131880165-2
• CAS: 131880-16-5
• Category: Trifluoromethylation Agents
• Purity: 95%
• MDL Number: MFCD01073545

• IUPAC Name: 5-(trifluoromethyl)dibenzothiophen-5-ium;tetrafluoroborate
• InChI: InChI=1S/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1
• InChI Key: VTVISWLINKWMQZ-UHFFFAOYSA-N
• Isomeric SMILES: [B-](F)(F)(F)F.C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F
• EC Number: 806-503-9

• Molecular Formula: C13H8BF7S
• Molecular Weight: 340.07
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 340.0327987 g/mol
• Monoisotopic Mass: 340.0327987 g/mol
• Topological Polar Surface Area: 1Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 286