2,6-Dichloro-1-fluoropyridin-1-ium trifluoromethanesulfonate

• Catalog: OFC130433680-2
• CAS: 130433-68-0
• Category: Trifluoromethylation Agents
• Synonyms: 1-Fluoro-2,6-Dichloropyridinium Triflate
• Purity: 97%
• MDL Number: MFCD00191438

• IUPAC Name: 2,6-dichloro-1-fluoropyridin-1-ium;trifluoromethanesulfonate
• InChI: InChI=1S/C5H3Cl2FN.CHF3O3S/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)/q+1;/p-1
• InChI Key: KDFRVNARKRKXQQ-UHFFFAOYSA-M
• Isomeric SMILES: C1=CC(=[N+](C(=C1)Cl)F)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• EC Number: 670-589-2

• Molecular Formula: C6H3Cl2F4NO3S
• Molecular Weight: 316.06
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 314.9146822 g/mol
• Monoisotopic Mass: 314.9146822 g/mol
• Topological Polar Surface Area: 69.5Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 236