ChemSpider 2D Image | Methyl (2E)-3-{4-[(7-bromo-2-oxo-2H-chromen-4-yl)methoxy]-3-methoxyphenyl}acrylate | C21H17BrO6

Methyl (2E)-3-{4-[(7-bromo-2-oxo-2H-chromen-4-yl)methoxy]-3-methoxyphenyl}acrylate

  • Molecular FormulaC21H17BrO6
  • Average mass445.260 Da
  • Monoisotopic mass444.020844 Da
  • ChemSpider ID30035781

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(7-Bromo-2-oxo-2H-chromén-4-yl)méthoxy]-3-méthoxyphényl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[(7-bromo-2-oxo-2H-1-benzopyran-4-yl)methoxy]-3-methoxyphenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-{4-[(7-bromo-2-oxo-2H-chromen-4-yl)methoxy]-3-methoxyphenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{4-[(7-brom-2-oxo-2H-chromen-4-yl)methoxy]-3-methoxyphenyl}acrylat [German] [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: 599.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 519.51
ACD/KOC (pH 5.5): 3057.93
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 519.51
ACD/KOC (pH 7.4): 3057.93
Polar Surface Area: 71 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 305.7±3.0 cm3

Click to predict properties on the Chemicalize site


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