ChemSpider 2D Image | 1-(3-Fluorobenzyl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid | C17H14FN3O3

1-(3-Fluorobenzyl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC17H14FN3O3
  • Average mass327.310 Da
  • Monoisotopic mass327.101929 Da
  • ChemSpider ID29098787

More details:

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

1-(3-Fluorbenzyl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)- [ACD/Index Name]
Acide 1-(3-fluorobenzyl)-5-(3-méthoxyphényl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1338667-60-9] [RN]
1-(3-Fluoro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid
1-(3-Fluorobenzyl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylicacid
1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazole-4-carboxylic acid
1338667-60-9 [RN]
MFCD22390035

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 527.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 273.0±32.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 86.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.70
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 34.1±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 244.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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