ChemSpider 2D Image | 1-[1-(4-Acetoxyphenyl)propyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid | C16H14F3IN2O4

1-[1-(4-Acetoxyphenyl)propyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC16H14F3IN2O4
  • Average mass482.193 Da
  • Monoisotopic mass481.995026 Da
  • ChemSpider ID122512697

More details:

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

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

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

Density: 1.7±0.1 g/cm3
Boiling Point: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.1±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.71
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.26
Polar Surface Area: 81 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

Click to predict properties on the Chemicalize site


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