ChemSpider 2D Image | 3-Carbamoyl-2-oxo-2H-chromen-7-yl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate | C27H20ClNO7

3-Carbamoyl-2-oxo-2H-chromen-7-yl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate

  • Molecular FormulaC27H20ClNO7
  • Average mass505.903 Da
  • Monoisotopic mass505.092834 Da
  • ChemSpider ID12130665

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(4-Chlorobenzyl)oxy]-3-méthoxyphényl}acrylate de 3-carbamoyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-, 3-(aminocarbonyl)-2-oxo-2H-1-benzopyran-7-yl ester, (2E)- [ACD/Index Name]
3-Carbamoyl-2-oxo-2H-chromen-7-yl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate [ACD/IUPAC Name]
3-Carbamoyl-2-oxo-2H-chromen-7-yl-(2E)-3-{4-[(4-chlorbenzyl)oxy]-3-methoxyphenyl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 776.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 113.0±0.0 kJ/mol
Flash Point: 423.5±0.0 °C
Index of Refraction: 1.658
Molar Refractivity: 132.8±0.0 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1513.23
ACD/KOC (pH 5.5): 6573.16
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1513.23
ACD/KOC (pH 7.4): 6573.15
Polar Surface Area: 114 Å2
Polarizability: 52.6±0.0 10-24cm3
Surface Tension: 61.6±0.0 dyne/cm
Molar Volume: 360.7±0.0 cm3

Click to predict properties on the Chemicalize site


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