2-Chloro-5-fluoro-4-pyrimidinone

• Catalog: OFC155124-2
• CAS: 155-12-4
• Category: Fluorinated Pyrimidines
• Synonyms: 2-chloro-5-fluoropyrimidin-4-ol
• Purity: >98.0%(T)

• IUPAC Name: 2-chloro-5-fluoro-1H-pyrimidin-6-one
• InChI: InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
• InChI Key: FHTLMXYURUPWJB-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=O)NC(=N1)Cl)F
• Reaxys Registry Number: 638238

• Molecular Formula: C4H2ClFN2O
• Molecular Weight: 148.52
• Melting Point: 174 °C(dec.)
• Appearance: White to light yellow powder to crystal

• XLogP3-AA: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 147.9839685 g/mol
• Monoisotopic Mass: 147.9839685 g/mol
• Topological Polar Surface Area: 41.5Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 211

• HS Number: 2933.59.8000