ChemSpider 2D Image | 4-[3-(3-Bromo-4-methoxybenzoyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile | C28H23BrN2O6

4-[3-(3-Bromo-4-methoxybenzoyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile

  • Molecular FormulaC28H23BrN2O6
  • Average mass563.396 Da
  • Monoisotopic mass562.073914 Da
  • ChemSpider ID34811752

More details:

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

4-[3-(3-Brom-4-methoxybenzoyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzonitril [German] [ACD/IUPAC Name]
4-[3-(3-Bromo-4-methoxybenzoyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [ACD/IUPAC Name]
4-[3-(3-Bromo-4-méthoxybenzoyl)-2-(3-éthoxy-4-méthoxyphényl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[3-(3-bromo-4-methoxybenzoyl)-2-(3-ethoxy-4-methoxyphenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]- [ACD/Index 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: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 65.71
ACD/KOC (pH 5.5): 352.43
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 6.08
Polar Surface Area: 109 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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