ChemSpider 2D Image | 3-(4-tert-Butylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole | C18H18FN3

3-(4-tert-Butylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole

  • Molecular FormulaC18H18FN3
  • Average mass295.354 Da
  • Monoisotopic mass295.148468 Da
  • ChemSpider ID23376955

More details:

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

1209330-60-8 [RN]
1H-1,2,4-Triazole, 3-[4-(1,1-dimethylethyl)phenyl]-5-(3-fluorophenyl)- [ACD/Index Name]
3-(3-Fluorophenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(3-Fluorophényl)-5-[4-(2-méthyl-2-propanyl)phényl]-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-(3-Fluorphenyl)-5-[4-(2-methyl-2-propanyl)phenyl]-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-(4-tert-Butylphenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole
3-(4-(tert-Butyl)phenyl)-5-(3-fluorophenyl)-1H-1,2,4-triazole
3-(4-tert-Butyl-phenyl)-5-(3-fluoro-phenyl)-1H-[1,2,4]triazole
5-(4-tert-butylphenyl)-3-(3-fluorophenyl)-1H-1,2,4-triazole
AKOS002684374
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 459.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.0±3.0 kJ/mol
    Flash Point: 231.9±31.5 °C
    Index of Refraction: 1.575
    Molar Refractivity: 84.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.84
    ACD/LogD (pH 5.5): 5.31
    ACD/BCF (pH 5.5): 6370.20
    ACD/KOC (pH 5.5): 18388.71
    ACD/LogD (pH 7.4): 5.30
    ACD/BCF (pH 7.4): 6297.25
    ACD/KOC (pH 7.4): 18178.11
    Polar Surface Area: 42 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 43.6±3.0 dyne/cm
    Molar Volume: 255.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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