4-Amino-2-chloro-5-fluoropyrimidine

• Catalog: OFC155102
• CAS: 155-10-2
• Category: Fluorinated Pyrimidines
• Synonyms: 2-Chloro-5-fluoro-pyrimidin-4-ylamine
• Purity: >98.0%(GC)(T)
• MDL Number: MFCD00057344

• IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine
• InChI: InChI=1S/C4H3ClFN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
• InChI Key: SLQAJWTZUXJPNY-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC(=N1)Cl)N)F
• EC Number: 625-110-1

• Molecular Formula: C4H3ClFN3
• Molecular Weight: 147.54
• Melting Point: 193.0-197.0 °C
• Appearance: White to light yellow powder to crystal
• Solubility: Soluble in dimethylformamide

• XLogP3-AA: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.9999530 g/mol
• Monoisotopic Mass: 146.9999530 g/mol
• Topological Polar Surface Area: 51.8Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 102

• HS Number: 2933.59.9500