Found 2289 results

Search term: MF = 'C_{12}H_{10}F_{3}N_{3}O_{2}'
ChemSpider 2D Image | 5-Methyl-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxylic acid | C12H10F3N3O2

5-Methyl-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC12H10F3N3O2
  • Average mass285.222 Da
  • Monoisotopic mass285.072510 Da
  • ChemSpider ID27313513

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
5-Methyl-1-[3-(trifluormethyl)benzyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-[3-(trifluorométhyl)benzyl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1111881-74-3] [RN]
1111881-74-3 [RN]
5-methyl-1-(3-(trifluoromethyl)benzyl)-1H-1,2,3-triazole-4-carboxylic acid
5-Methyl-1-(3-trifluoromethyl-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid
5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxylic acid
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 435.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 217.1±31.5 °C
    Index of Refraction: 1.569
    Molar Refractivity: 64.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.10
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.40
    ACD/LogD (pH 7.4): -0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 42.0±7.0 dyne/cm
    Molar Volume: 196.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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