5-(4-Chlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

• Catalog: OFC2263969
• CAS: 2263-96-9
• Category: Fluorinated Pyrimidines
• Synonyms: 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-(trifluoromethyl)-
• Purity: 97%

• IUPAC Name: 5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
• InChI: InChI=1S/C11H8ClF3N4/c12-6-3-1-5(2-4-6)7-8(11(13,14)15)18-10(17)19-9(7)16/h1-4H,(H4,16,17,18,19)
• InChI Key: BOMKEFCBQZPVAF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=C(N=C(N=C2N)N)C(F)(F)F)Cl

• Molecular Formula: C11H8ClF3N4
• Molecular Weight: 288.66

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 288.0389585 g/mol
• Monoisotopic Mass: 288.0389585 g/mol
• Topological Polar Surface Area: 77.8Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 307