ChemSpider 2D Image | 5-Bromo-3-[3-(2,4-dimethoxyphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one | C18H15BrO5

5-Bromo-3-[3-(2,4-dimethoxyphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC18H15BrO5
  • Average mass391.213 Da
  • Monoisotopic mass390.010284 Da
  • ChemSpider ID32786530

More details:

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

2,4,6-Cycloheptatrien-1-one, 5-bromo-3-[3-(2,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-2-hydroxy- [ACD/Index Name]
5-Brom-3-[3-(2,4-dimethoxyphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
5-Bromo-3-[3-(2,4-dimethoxyphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
5-Bromo-3-[3-(2,4-diméthoxyphényl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrién-1-one [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: 481.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.3±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 6.69
ACD/KOC (pH 5.5): 68.66
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 73 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 254.0±3.0 cm3

Click to predict properties on the Chemicalize site


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