ChemSpider 2D Image | Iso Fluconazole | C13H12F2N6O

Iso Fluconazole

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID24534005

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(4H-1,2,4-triazol-4-ylmethyl)- [ACD/Index Name]
2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [ACD/IUPAC Name]
2-(2,4-Difluorophényl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [French] [ACD/IUPAC Name]
2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)propan-2-ol
2-(2,4-Difluorphenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)-2-propanol [German] [ACD/IUPAC Name]
89429-59-4 [RN]
Iso Fluconazole
(2RS)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)propan-2-ol
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(4H-1,2,4-triazol-4-yl)propan-2-ol;fluconazole related substance EP A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9T59BRP61E [DBID]
UNII:9T59BRP61E [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 579.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.2±3.0 kJ/mol
    Flash Point: 304.4±32.9 °C
    Index of Refraction: 1.663
    Molar Refractivity: 76.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 0.67
    ACD/BCF (pH 5.5): 1.90
    ACD/KOC (pH 5.5): 54.93
    ACD/LogD (pH 7.4): 0.67
    ACD/BCF (pH 7.4): 1.90
    ACD/KOC (pH 7.4): 55.20
    Polar Surface Area: 82 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 55.4±7.0 dyne/cm
    Molar Volume: 205.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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