5-Fluoro-1-((3-nitro-4-propoxyphenyl)sulfonyl)pyrimidine-2,4(1H,3H)-dione

• Catalog: OFC128887354
• CAS: 128887-35-4
• Category: Fluorinated Pyrimidines
• Synonyms: N'-(3-Nitro-4-propoxybenzenesulfonyl)-5-fluorouracil
• Purity: 97%

• IUPAC Name: 5-fluoro-1-(3-nitro-4-propoxyphenyl)sulfonylpyrimidine-2,4-dione
• InChI: InChI=1S/C13H12FN3O7S/c1-2-5-24-11-4-3-8(6-10(11)17(20)21)25(22,23)16-7-9(14)12(18)15-13(16)19/h3-4,6-7H,2,5H2,1H3,(H,15,18,19)
• InChI Key: RCEHOLIATAHQOL-UHFFFAOYSA-N
• Isomeric SMILES: CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]

• Molecular Formula: C13H12FN3O7S
• Molecular Weight: 373.31

• XLogP3-AA: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 373.03799907 g/mol
• Monoisotopic Mass: 373.03799907 g/mol
• Topological Polar Surface Area: 147Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 697