2,3,4,5,6-Pentafluorophenyl-5-bromo-2-thiophenesulphonate

• Catalog: OFC885949677
• CAS: 885949-67-7
• Category: Fluorinated Thiophenes
• Synonyms: Perfluorophenyl 5-bromothiophene-2-sulfonate
• MDL Number: MFCD06659553

• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 5-bromothiophene-2-sulfonate
• InChI: InChI=1S/C10H2BrF5O3S2/c11-3-1-2-4(20-3)21(17,18)19-10-8(15)6(13)5(12)7(14)9(10)16/h1-2H
• InChI Key: ARONUGGUBQPRMS-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(SC(=C1)Br)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

• Molecular Formula: C10H2BrF5O3S2
• Molecular Weight: 409.15
• Melting Point: 38-40 °C

• XLogP3-AA: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 407.85489 g/mol
• Monoisotopic Mass: 407.85489 g/mol
• Topological Polar Surface Area: 80Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 460