5-Chloro-2,4,6-trifluoropyrimidine

• Catalog: OFC697836
• CAS: 697-83-6
• Category: Fluorinated Pyrimidines
• Synonyms: Pyrimidine, 5-chloro-2,4,6-trifluoro-
• Purity: >98.0%(GC)
• MDL Number: MFCD00191933

• IUPAC Name: 5-chloro-2,4,6-trifluoropyrimidine
• InChI: InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7
• InChI Key: GOYNRDSJTYLXBU-UHFFFAOYSA-N
• Isomeric SMILES: C1(=C(N=C(N=C1F)F)F)Cl
• EC Number: 211-807-4
• Reaxys Registry Number: 610168

• Molecular Formula: C4ClF3N2
• Molecular Weight: 168.50
• Boiling Point: 115 °C
• Refractive Index: 1.44
• Appearance: Colorless to light yellow clear liquid

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 167.9702102 g/mol
• Monoisotopic Mass: 167.9702102 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 113