6-(Trifluoromethyl)pyrimidine-4-carboxylic acid

• Catalog: OFC933721994
• CAS: 933721-99-4
• Category: Fluorinated Pyrimidines
• Purity: 95%
• MDL Number: MFCD09954922

• IUPAC Name: 6-(trifluoromethyl)pyrimidine-4-carboxylic acid
• InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)4-1-3(5(12)13)10-2-11-4/h1-2H,(H,12,13)
• InChI Key: IGXLCQPTBOJNPW-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(N=CN=C1C(F)(F)F)C(=O)O
• EC Number: 820-723-2

• Molecular Formula: C6H3F3N2O2
• Molecular Weight: 192.10
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 192.01466183 g/mol
• Monoisotopic Mass: 192.01466183 g/mol
• Topological Polar Surface Area: 63.1Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207