2-Iodo-5-(trifluoromethyl)pyrimidine

• Catalog: OFC112930957
• CAS: 112930-95-7
• Category: Fluorinated Pyrimidines
• Purity: 95%
• MDL Number: MFCD14702305

• IUPAC Name: 2-iodo-5-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5H2F3IN2/c6-5(7,8)3-1-10-4(9)11-2-3/h1-2H
• InChI Key: OUVBWBDXUZIKRJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=NC(=N1)I)C(F)(F)F
• EC Number: 861-194-8

• Molecular Formula: C5H2F3IN2
• Molecular Weight: 273.98
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 273.92148 g/mol
• Monoisotopic Mass: 273.92148 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130