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

• Catalog: OFC663175915
• CAS: 663175-91-5
• Category: Fluorinated Thiophenes
• Synonyms: Pentafluorophenyl thiophene-2-sulfonate
• MDL Number: MFCD05975124

• IUPAC Name: (2,3,4,5,6-pentafluorophenyl) thiophene-2-sulfonate
• InChI: InChI=1S/C10H3F5O3S2/c11-5-6(12)8(14)10(9(15)7(5)13)18-20(16,17)4-2-1-3-19-4/h1-3H
• InChI Key: NBFSXUOCIXWUQJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CSC(=C1)S(=O)(=O)OC2=C(C(=C(C(=C2F)F)F)F)F

• Molecular Formula: C10H3F5O3S2
• Molecular Weight: 330.25
• Melting Point: 90-92 °C

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 329.94437711 g/mol
• Monoisotopic Mass: 329.94437711 g/mol
• Topological Polar Surface Area: 80Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 427