Doconazole
[CAS# 59831-63-9]

Identification

• Name: Doconazole
• Synonyms: 1H-Imidazole, 1-((4-(((1,1'-Biphenyl)-4-Yloxy)Methyl)-2-(2,4-Dichlorophenyl)-1,3-Dioxolan-2-Yl)Methyl)-, Cis-; Doconazol [Inn-Spanish]; Doconazole
• Molecular Formula: C₂₆H₂₂Cl₂N₂O₃
• Molecular Weight: 481.38
• CAS Registry Number: 59831-63-9
• SMILES: [C@@]1(OC(CO1)COC3=CC=C(C2=CC=CC=C2)C=C3)(C4=C(Cl)C=C(Cl)C=C4)C[N]5C=NC=C5
• InChI: 1S/C26H22Cl2N2O3/c27-21-8-11-24(25(28)14-21)26(17-30-13-12-29-18-30)32-16-23(33-26)15-31-22-9-6-20(7-10-22)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23?,26-/m0/s1
• InChIKey: GNZHVEIGGFMLSP-NASUQTAISA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 665.563°C at 760 mmHg (Cal.)
• Flash point: 356.32°C (Cal.)