Methyl 2,6-dichloro-5-(trifluoromethyl)pyrimidine-4-carboxylate

• Catalog: OFC1190198378
• CAS: 1190198-37-8
• Category: Fluorinated Pyrimidines
• Synonyms: methyl 2,6-dichloro-5-(trifluoromethyl)-4-pyrimidinecarboxylate
• MDL Number: MFCD12922697

• IUPAC Name: methyl 2,6-dichloro-5-(trifluoromethyl)pyrimidine-4-carboxylate
• InChI: InChI=1S/C7H3Cl2F3N2O2/c1-16-5(15)3-2(7(10,11)12)4(8)14-6(9)13-3/h1H3
• InChI Key: BSMJPCAZDAOADO-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F

• Molecular Formula: C7H3Cl2F3N2O2
• Molecular Weight: 275.01
• Melting Point: 57-58 °C

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 273.9523672 g/mol
• Monoisotopic Mass: 273.9523672 g/mol
• Topological Polar Surface Area: 52.1Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277