5-Fluorocytosine

• Catalog: OFC2022857
• CAS: 2022-85-7
• Category: Fluorinated Pyrimidines
• Synonyms: 4-Amino-5-fluoro-2-hydroxypyrimidine; Flucytosine
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD00006035

• IUPAC Name: 6-amino-5-fluoro-1H-pyrimidin-2-one
• InChI: InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
• InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N
• Isomeric SMILES: C1=NC(=O)NC(=C1F)N
• EC Number: 217-968-7
• Reaxys Registry Number: 3604562

• Molecular Formula: C4H4FN3O
• Molecular Weight: 129.09
• Appearance: White to almost white powder to crystal
• Solubility: Solubility in water

• XLogP3-AA: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.03383992 g/mol
• Monoisotopic Mass: 129.03383992 g/mol
• Topological Polar Surface Area: 67.5Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 208

• HS Number: 2933.59.9500