4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzenesulphonyl chloride

• Catalog: OFC1160058865
• CAS: 1160058-86-5
• Category: Fluorinated Pyrimidines
• Synonyms: 2-[4-(Chlorosulphonyl)phenoxy]-4-(trifluoromethyl)pyrimidine; 2-[4-(Chlorosulphonyl)phenoxy]-4-(trifluoromethyl)-1,3-diazine
• MDL Number: MFCD11109532

• IUPAC Name: 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzenesulfonyl chloride
• InChI: InChI=1S/C11H6ClF3N2O3S/c12-21(18,19)8-3-1-7(2-4-8)20-10-16-6-5-9(17-10)11(13,14)15/h1-6H
• InChI Key: SMDWXDCIMUGFNP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1OC2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)Cl

• Molecular Formula: C11H6ClF3N2O3S
• Molecular Weight: 338.69
• Melting Point: 108-110 °C

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 337.9739754 g/mol
• Monoisotopic Mass: 337.9739754 g/mol
• Topological Polar Surface Area: 77.5Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 447