ChemSpider 2D Image | 6-Bromo-3-[(2E)-3-(2,3,4-trimethoxyphenyl)-2-propenoyl]-2H-chromen-2-one | C21H17BrO6

6-Bromo-3-[(2E)-3-(2,3,4-trimethoxyphenyl)-2-propenoyl]-2H-chromen-2-one

  • Molecular FormulaC21H17BrO6
  • Average mass445.260 Da
  • Monoisotopic mass444.020844 Da
  • ChemSpider ID23015788

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1-Benzopyran-2-one, 6-bromo-3-[(2E)-1-oxo-3-(2,3,4-trimethoxyphenyl)-2-propen-1-yl]- [ACD/Index Name]
6-Brom-3-[(2E)-3-(2,3,4-trimethoxyphenyl)-2-propenoyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Bromo-3-[(2E)-3-(2,3,4-trimethoxyphenyl)-2-propenoyl]-2H-chromen-2-one [ACD/IUPAC Name]
6-Bromo-3-[(2E)-3-(2,3,4-triméthoxyphényl)-2-propenoyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
6-bromo-3-[(2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]-2H-chromen-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 369.40
ACD/KOC (pH 5.5): 2395.61
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.40
ACD/KOC (pH 7.4): 2395.61
Polar Surface Area: 71 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 303.4±3.0 cm3

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