5-Bromo-4-(trifluoromethyl)pyrimidine

• Catalog: OFC785777880
• CAS: 785777-88-0
• Category: Fluorinated Pyrimidines
• Synonyms: Pyrimidine, 5-bromo-4-(trifluoromethyl)-
• Purity: 97%
• MDL Number: MFCD11046325

• IUPAC Name: 5-bromo-4-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H
• InChI Key: XQBMNXRFVINPTJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC=N1)C(F)(F)F)Br

• Molecular Formula: C5H2BrF3N2
• Molecular Weight: 226.98

• XLogP3-AA: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 225.93535 g/mol
• Monoisotopic Mass: 225.93535 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138