ChemSpider 2D Image | 2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxylate | C20H20N2O9

2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxylate

  • Molecular FormulaC20H20N2O9
  • Average mass432.381 Da
  • Monoisotopic mass432.116882 Da
  • ChemSpider ID33021467

More details:

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

1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methoxy-, 2-[(4-ethoxy-2-nitrophenyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl 8-methoxy-2,3-dihydro-1,4-benzodioxine-6-carboxylate [ACD/IUPAC Name]
2-[(4-Ethoxy-2-nitrophenyl)amino]-2-oxoethyl-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-carboxylat [German] [ACD/IUPAC Name]
8-Méthoxy-2,3-dihydro-1,4-benzodioxine-6-carboxylate de 2-[(4-éthoxy-2-nitrophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.92
ACD/KOC (pH 5.5): 786.39
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.88
ACD/KOC (pH 7.4): 785.98
Polar Surface Area: 138 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 310.1±3.0 cm3

Click to predict properties on the Chemicalize site


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