4-Chloro-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine

• Catalog: OFC119610218
• CAS: 119610-21-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD31616619

• IUPAC Name: 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
• InChI Key: QOGLJWXUTLRNMB-UHFFFAOYSA-N
• Isomeric SMILES: CS(=O)(=O)C1=NC(=CC(=N1)Cl)C(F)(F)F

• Molecular Formula: C6H4ClF3N2O2S
• Molecular Weight: 260.62

• XLogP3-AA: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 259.9634107 g/mol
• Monoisotopic Mass: 259.9634107 g/mol
• Topological Polar Surface Area: 68.3Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 326