4,6-Dichloro-2-(trifluoromethyl)pyrimidine

• Catalog: OFC705248
• CAS: 705-24-8
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD08436597

• IUPAC Name: 4,6-dichloro-2-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5HCl2F3N2/c6-2-1-3(7)12-4(11-2)5(8,9)10/h1H
• InChI Key: QFWVAJQVYBRTCL-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(N=C(N=C1Cl)C(F)(F)F)Cl
• EC Number: 691-187-3

• Molecular Formula: C5HCl2F3N2
• Molecular Weight: 216.98

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 215.9468879 g/mol
• Monoisotopic Mass: 215.9468879 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153