ChemSpider 2D Image | Ethyl 4-methyl-2-({[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}methyl)-3-quinolinecarboxylate | C22H18N2O8

Ethyl 4-methyl-2-({[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}methyl)-3-quinolinecarboxylate

  • Molecular FormulaC22H18N2O8
  • Average mass438.387 Da
  • Monoisotopic mass438.106323 Da
  • ChemSpider ID22555640

More details:

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

3-Quinolinecarboxylic acid, 4-methyl-2-[[[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy]methyl]-, ethyl ester [ACD/Index Name]
4-Méthyl-2-({[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}méthyl)-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-methyl-2-({[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}methyl)-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-2-({[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]oxy}methyl)-3-chinolincarboxylat [German] [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: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.7±30.1 °C
Index of Refraction: 1.648
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 611.47
ACD/KOC (pH 5.5): 3436.13
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 611.56
ACD/KOC (pH 7.4): 3436.64
Polar Surface Area: 130 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 309.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement