5-Fluoro-1-(o-tolylsulfonyl)pyrimidine-2,4(1H,3H)-dione

• Catalog: OFC56059097
• CAS: 56059-09-7
• Category: Fluorinated Pyrimidines
• Synonyms: 5-Fluoro-1-(2-methylbenzene-1-sulfonyl)pyrimidine-2,4(1H,3H)-dione
• Purity: 97%

• IUPAC Name: 5-fluoro-1-(2-methylphenyl)sulfonylpyrimidine-2,4-dione
• InChI: InChI=1S/C11H9FN2O4S/c1-7-4-2-3-5-9(7)19(17,18)14-6-8(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
• InChI Key: MOQJOKIQRMSFMQ-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC=CC=C1S(=O)(=O)N2C=C(C(=O)NC2=O)F

• Molecular Formula: C11H9FN2O4S
• Molecular Weight: 284.26

• XLogP3-AA: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.02670611 g/mol
• Monoisotopic Mass: 284.02670611 g/mol
• Topological Polar Surface Area: 91.9Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 537