2-Hydroxy-4-(perfluoroethyl)pyrimidine-5-carboxylic acid

• Catalog: OFC306960690
• CAS: 306960-69-0
• Category: Fluorinated Pyrimidines
• Synonyms: 2-hydroxy-4-pentafluoroethylpyrimidine-5-carboxylic acid
• Purity: 97%

• IUPAC Name: 2-oxo-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyrimidine-5-carboxylic acid
• InChI: InChI=1S/C7H3F5N2O3/c8-6(9,7(10,11)12)3-2(4(15)16)1-13-5(17)14-3/h1H,(H,15,16)(H,13,14,17)
• InChI Key: OQDBUJYJJDKBRP-UHFFFAOYSA-N
• Isomeric SMILES: C1=NC(=O)NC(=C1C(=O)O)C(C(F)(F)F)(F)F

• Molecular Formula: C7H3F5N2O3
• Molecular Weight: 258.10

• XLogP3-AA: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 258.00638277 g/mol
• Monoisotopic Mass: 258.00638277 g/mol
• Topological Polar Surface Area: 78.8Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 437