1-Allyl-5-fluoropyrimidine-2,4(1H,3H)-dione

• Catalog: OFC4871141
• CAS: 4871-14-1
• Category: Fluorinated Pyrimidines
• Synonyms: 1-Allyl-5-fluorouracil
• Purity: >97% (stabilized with TBC)

• IUPAC Name: 5-fluoro-1-prop-2-enylpyrimidine-2,4-dione
• InChI: InChI=1S/C7H7FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h2,4H,1,3H2,(H,9,11,12)
• InChI Key: NUSNKFZUAGYVMV-UHFFFAOYSA-N
• Isomeric SMILES: C=CCN1C=C(C(=O)NC1=O)F

• Molecular Formula: C7H7FN2O2
• Molecular Weight: 170.14

• XLogP3-AA: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04915563 g/mol
• Monoisotopic Mass: 170.04915563 g/mol
• Topological Polar Surface Area: 49.4Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 273