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

• Catalog: OFC72975349
• CAS: 72975-34-9
• Category: Fluorinated Pyrimidines
• Synonyms: 5-fluoro-1-(2-oxopropyl)pyrimidine-2,4-dione
• Purity: 97%

• IUPAC Name: 5-fluoro-1-(2-oxopropyl)pyrimidine-2,4-dione
• InChI: InChI=1S/C7H7FN2O3/c1-4(11)2-10-3-5(8)6(12)9-7(10)13/h3H,2H2,1H3,(H,9,12,13)
• InChI Key: JZQAIMCHSQGJLZ-UHFFFAOYSA-N
• Isomeric SMILES: CC(=O)CN1C=C(C(=O)NC1=O)F

• Molecular Formula: C7H7FN2O3
• Molecular Weight: 186.14

• XLogP3-AA: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.04407025 g/mol
• Monoisotopic Mass: 186.04407025 g/mol
• Topological Polar Surface Area: 66.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 311