ChemSpider 2D Image | 1-tert-butyl-3-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid | C14H14F2N2O2

1-tert-butyl-3-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC14H14F2N2O2
  • Average mass280.270 Da
  • Monoisotopic mass280.102325 Da
  • ChemSpider ID28545739

More details:

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

1152548-23-6 [RN]
1H-Pyrazole-4-carboxylic acid, 3-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)- [ACD/Index Name]
1-tert-butyl-3-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylic acid
3-(2,4-Difluorophenyl)-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
3-(2,4-Difluorphenyl)-1-(2-methyl-2-propanyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 3-(2,4-difluorophényl)-1-(2-méthyl-2-propanyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD13463962

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

Density: 1.3±0.1 g/cm3
Boiling Point: 370.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.0±26.5 °C
Index of Refraction: 1.554
Molar Refractivity: 70.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 33.95
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 55 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 37.4±7.0 dyne/cm
Molar Volume: 219.6±7.0 cm3

Click to predict properties on the Chemicalize site


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