Methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

• Catalog: OFC175137276
• CAS: 175137-27-6
• Category: Fluorinated Pyrimidines
• Synonyms: methylchlorotrifluoromethylpyrimidinecarboxylate
• Purity: 98%
• MDL Number: MFCD00068146

• IUPAC Name: methyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
• InChI: InChI=1S/C7H4ClF3N2O2/c1-15-5(14)3-2-12-6(8)13-4(3)7(9,10)11/h2H,1H3
• InChI Key: VLUBJYUOPNGBOQ-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=CN=C(N=C1C(F)(F)F)Cl
• EC Number: 671-935-5

• Molecular Formula: C7H4ClF3N2O2
• Molecular Weight: 240.57
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 239.9913396 g/mol
• Monoisotopic Mass: 239.9913396 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249