ChemSpider 2D Image | 1-[3-(Cyclopropyloxy)benzyl]-4-iodo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid | C15H12F3IN2O3

1-[3-(Cyclopropyloxy)benzyl]-4-iodo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC15H12F3IN2O3
  • Average mass452.167 Da
  • Monoisotopic mass451.984467 Da
  • ChemSpider ID122153191

More details:

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

1-[3-(Cyclopropyloxy)benzyl]-4-iod-5-(trifluormethyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-[3-(Cyclopropyloxy)benzyl]-4-iodo-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-[[3-(cyclopropyloxy)phenyl]methyl]-4-iodo-5-(trifluoromethyl)- [ACD/Index Name]
Acide 1-[3-(cyclopropyloxy)benzyl]-4-iodo-5-(trifluorométhyl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.6±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 86.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 64 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 236.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement