ChemSpider 2D Image | 5-Amino-1-(5-fluoro-2-iodobenzyl)-3-phenyl-1H-pyrazole-4-carbonitrile | C17H12FIN4

5-Amino-1-(5-fluoro-2-iodobenzyl)-3-phenyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC17H12FIN4
  • Average mass418.207 Da
  • Monoisotopic mass418.009064 Da
  • ChemSpider ID122636389

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-1-[(5-fluoro-2-iodophenyl)methyl]-3-phenyl- [ACD/Index Name]
5-Amino-1-(5-fluor-2-iodbenzyl)-3-phenyl-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-1-(5-fluoro-2-iodobenzyl)-3-phenyl-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-1-(5-fluoro-2-iodobenzyl)-3-phényl-1H-pyrazole-4-carbonitrile [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: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.39
ACD/KOC (pH 5.5): 2972.68
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.39
ACD/KOC (pH 7.4): 2972.68
Polar Surface Area: 68 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


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