5-Bromo-2-(trifluoromethoxy)pyrimidine

• Catalog: OFC886365691
• CAS: 886365-69-1
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD07375145

• IUPAC Name: 5-bromo-2-(trifluoromethoxy)pyrimidine
• InChI Key: UPULUBMXYVHFJO-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=NC(=N1)OC(F)(F)F)Br

• Molecular Formula: C5H2BrF3N2O
• Molecular Weight: 242.98

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 241.93026 g/mol
• Monoisotopic Mass: 241.93026 g/mol
• Topological Polar Surface Area: 35Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146