2-Ethoxy-5-fluoropyrimidin-4(3H)-one

• Catalog: OFC56177801
• CAS: 56177-80-1
• Category: Fluorinated Pyrimidines
• Synonyms: 2-Ethoxy-5-fluoropyrimidin-4(1H)-one; 2-Ethoxy-5-fluorouracil
• Purity: 98%
• MDL Number: MFCD03265436

• IUPAC Name: 2-ethoxy-5-fluoro-1H-pyrimidin-6-one
• InChI: InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
• InChI Key: XREDGJFKPWBNRQ-UHFFFAOYSA-N
• Isomeric SMILES: CCOC1=NC=C(C(=O)N1)F

• Molecular Formula: C6H7FN2O2
• Molecular Weight: 158.13
• Melting Point: 180-184 °C

• XLogP3-AA: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 158.04915563 g/mol
• Monoisotopic Mass: 158.04915563 g/mol
• Topological Polar Surface Area: 50.7Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 235