ChemSpider 2D Image | 4-[4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid | C14H11F3N2O4

4-[4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid

  • Molecular FormulaC14H11F3N2O4
  • Average mass328.243 Da
  • Monoisotopic mass328.067078 Da
  • ChemSpider ID22241267

More details:

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

1H-Pyrazole-4-carboxylic acid, 1-(4-carboxyphenyl)-5-(trifluoromethyl)-, 4-ethyl ester [ACD/Index Name]
4-[4-(Ethoxycarbonyl)-5-(trifluormethyl)-1H-pyrazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[4-(éthoxycarbonyl)-5-(trifluorométhyl)-1H-pyrazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
700372-26-5 [RN]
MFCD10686928 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 451.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 227.1±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 3.16
ACD/KOC (pH 5.5): 23.23
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 81 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 228.0±7.0 cm3

Click to predict properties on the Chemicalize site


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