4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine

• Catalog: OFC5993986
• CAS: 5993-98-6
• Category: Fluorinated Pyrimidines
• Purity: 97%
• MDL Number: MFCD03265399

• IUPAC Name: 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3
• InChI Key: JYLBKMNTQSEPJM-UHFFFAOYSA-N
• Isomeric SMILES: CC1=NC(=CC(=N1)Cl)C(F)(F)F
• EC Number: 863-796-6

• Molecular Formula: C6H4ClF3N2
• Molecular Weight: 196.56
• Storage: Inert atmosphere; Store in freezer, under -20 °C

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 196.0015103 g/mol
• Monoisotopic Mass: 196.0015103 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161