Trifluoromethyl 4-fluorobenzenesulfonate

• Catalog: OFC2070902779
• CAS: 2070902-77-9
• Category: Trifluoromethylation Agents
• Purity: 98%
• MDL Number: MFCD33023613

• IUPAC Name: trifluoromethyl 4-fluorobenzenesulfonate
• InChI: InChI=1S/C7H4F4O3S/c8-5-1-3-6(4-2-5)15(12,13)14-7(9,10)11/h1-4H
• InChI Key: CEDNKWXPIPAZQP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1F)S(=O)(=O)OC(F)(F)F

• Molecular Formula: C7H4F4O3S
• Molecular Weight: 244.16
• Storage: Keep in inert atmosphere, room temperature

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 243.98172781 g/mol
• Monoisotopic Mass: 243.98172781 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 297