Methyl 2-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6h)-yl)acetate

• Catalog: OFC2004497816
• CAS: 2004497-81-6
• Category: Fluorinated Pyrimidines
• Synonyms: Methyl 2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetate
• MDL Number: MFCD31812106

• IUPAC Name: methyl 2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetate
• InChI: InChI=1S/C8H7F3N2O3/c1-16-7(15)3-13-4-12-5(2-6(13)14)8(9,10)11/h2,4H,3H2,1H3
• InChI Key: HJJCESXABXFNCA-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)CN1C=NC(=CC1=O)C(F)(F)F

• Molecular Formula: C8H7F3N2O3
• Molecular Weight: 236.15

• XLogP3-AA: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 236.04087658 g/mol
• Monoisotopic Mass: 236.04087658 g/mol
• Topological Polar Surface Area: 59Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 373