4-Chloro-6-fluoropyrimidine

• Catalog: OFC51422016
• CAS: 51422-01-6
• Category: Fluorinated Pyrimidines
• Synonyms: Pyrimidine, 4-chloro-6-fluoro- (9CI)
• Purity: 95%
• MDL Number: MFCD09870037

• IUPAC Name: 4-chloro-6-fluoropyrimidine
• InChI: InChI=1S/C4H2ClFN2/c5-3-1-4(6)8-2-7-3/h1-2H
• InChI Key: DLAFWIYXXOBITQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(N=CN=C1Cl)F

• Molecular Formula: C4H2ClFN2
• Molecular Weight: 132.52
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 131.9890539 g/mol
• Monoisotopic Mass: 131.9890539 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.4