4-Chloro-6-(trifluoromethyl)pyrimidine

• Catalog: OFC37552811
• CAS: 37552-81-1
• Category: Fluorinated Heterocyclic Series Products; Fluorinated Pyrimidines
• Synonyms: Pyrimidine, 4-chloro-6-(trifluoromethyl)-
• Purity: 98% Min.
• MDL Number: MFCD04972771

• IUPAC Name: 4-chloro-6-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
• InChI Key: TYSPDLZOMUDHQZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(N=CN=C1Cl)C(F)(F)F

• Molecular Formula: C5H2ClF3N2
• Molecular Weight: 182.53
• Storage: Inert atmosphere, 2-8°C

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.9858603 g/mol
• Monoisotopic Mass: 181.9858603 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138