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

• Catalog: OFC61251783
• CAS: 61251-78-3
• Category: Fluorinated Pyrimidines
• Synonyms: 3-(4-Nitrobenzoyl)-5-fluorouracil
• Purity: 97%

• IUPAC Name: 5-fluoro-3-(4-nitrobenzoyl)-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C11H6FN3O5/c12-8-5-13-11(18)14(10(8)17)9(16)6-1-3-7(4-2-6)15(19)20/h1-5H,(H,13,18)
• InChI Key: XUOHLCISGFTYQZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C(=O)N2C(=O)C(=CNC2=O)F)[N+](=O)[O-]

• Molecular Formula: C11H6FN3O5
• Molecular Weight: 279.18

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 279.02914846 g/mol
• Monoisotopic Mass: 279.02914846 g/mol
• Topological Polar Surface Area: 112Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 505