ChemSpider 2D Image | 4-Bromo-2-(4-chlorophenyl)-1-{[(~2~H_5_)ethyloxy]methyl}-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile | C15H6D5BrClF3N2O

4-Bromo-2-(4-chlorophenyl)-1-{[(2H5)ethyloxy]methyl}-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC15H6D5BrClF3N2O
  • Average mass412.644 Da
  • Monoisotopic mass411.000916 Da
  • ChemSpider ID128918103

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-1-[(ethyl-d5-oxy)methyl]-5-(trifluoromethyl)- [ACD/Index Name]
4-Brom-2-(4-chlorphenyl)-1-{[(2H5)ethyloxy]methyl}-5-(trifluormethyl)-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
4-Bromo-2-(4-chlorophenyl)-1-{[(2H5)ethyloxy]methyl}-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
4-Bromo-2-(4-chlorophényl)-1-{[(2H5)éthyloxy]méthyl}-5-(trifluorométhyl)-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 443.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 222.0±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2454.74
ACD/KOC (pH 5.5): 9293.13
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2454.74
ACD/KOC (pH 7.4): 9293.13
Polar Surface Area: 38 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 266.2±7.0 cm3

Click to predict properties on the Chemicalize site


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