Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

• Catalog: OFC304693649
• CAS: 304693-64-9
• Category: Fluorinated Pyrimidines
• Synonyms: 5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine
• Purity: 97%
• MDL Number: MFCD09754048

• IUPAC Name: ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
• InChI: InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
• InChI Key: LRUCUGOOQHJEQP-UHFFFAOYSA-N
• Isomeric SMILES: CCOC(=O)C1=CN=C(N=C1)C(F)(F)F
• EC Number: 640-777-9

• Molecular Formula: C8H7F3N2O2
• Molecular Weight: 220.15

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 220.04596196 g/mol
• Monoisotopic Mass: 220.04596196 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 224