ChemSpider 2D Image | Methyl 3-(difluoromethyl)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate | C14H14F2N2O2

Methyl 3-(difluoromethyl)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H14F2N2O2
  • Average mass280.270 Da
  • Monoisotopic mass280.102325 Da
  • ChemSpider ID58124569

More details:

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

1975119-05-1 [RN]
1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-, methyl ester [ACD/Index Name]
3-(Difluorométhyl)-1-(4-méthylbenzyl)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(difluoromethyl)-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
methyl 3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylate
methyl 3-(difluoromethyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
Methyl-3-(difluormethyl)-1-(4-methylbenzyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
MFCD30378273

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.6±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 70.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.65
ACD/KOC (pH 5.5): 1187.96
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.65
ACD/KOC (pH 7.4): 1187.96
Polar Surface Area: 44 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 36.0±7.0 dyne/cm
Molar Volume: 224.3±7.0 cm3

Click to predict properties on the Chemicalize site


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