ChemSpider 2D Image | Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | C6H5F3N2O2

Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC6H5F3N2O2
  • Average mass194.111 Da
  • Monoisotopic mass194.030319 Da
  • ChemSpider ID24598433

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-(Trifluorométhyl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
61859-96-9 [RN]
Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-3-(trifluormethyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[61859-96-9] [RN]
1-(4-Aminophenyl)-2-pyrrolidone
1-(4-aminophenyl)pyrrolidin-2-one
AGN-PC-0ODJ0X
AKOS016007615
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 290.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 129.5±27.3 °C
    Index of Refraction: 1.449
    Molar Refractivity: 35.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.38
    ACD/KOC (pH 5.5): 210.59
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 10.56
    ACD/KOC (pH 7.4): 179.63
    Polar Surface Area: 55 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 35.5±3.0 dyne/cm
    Molar Volume: 132.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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