ChemSpider 2D Image | 5-Ethyl-1-(2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid | C12H12FN3O2

5-Ethyl-1-(2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC12H12FN3O2
  • Average mass249.241 Da
  • Monoisotopic mass249.091354 Da
  • ChemSpider ID25833945

More details:

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

1267882-46-1 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 5-ethyl-1-[(2-fluorophenyl)methyl]- [ACD/Index Name]
5-Ethyl-1-(2-fluorbenzyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Ethyl-1-(2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
5-ethyl-1-[(2-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Acide 5-éthyl-1-(2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1267882-46-1] [RN]
1-(2-FLUORO-BENZYL)-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
5-Ethyl-1-(2-fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid
5-ethyl-1-[(2-fluorophenyl)methyl]triazole-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 444.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 222.7±31.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 64.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.06
    ACD/LogD (pH 7.4): -0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 46.9±7.0 dyne/cm
    Molar Volume: 185.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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