ChemSpider 2D Image | [5-(Dimethylsulfamoyl)-2-furyl]methyl 5-ethoxy-4-methoxy-2-nitrobenzoate | C17H20N2O9S

[5-(Dimethylsulfamoyl)-2-furyl]methyl 5-ethoxy-4-methoxy-2-nitrobenzoate

  • Molecular FormulaC17H20N2O9S
  • Average mass428.414 Da
  • Monoisotopic mass428.088959 Da
  • ChemSpider ID33556294

More details:

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

[5-(Dimethylsulfamoyl)-2-furyl]methyl 5-ethoxy-4-methoxy-2-nitrobenzoate [ACD/IUPAC Name]
[5-(Dimethylsulfamoyl)-2-furyl]methyl-5-ethoxy-4-methoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
5-Éthoxy-4-méthoxy-2-nitrobenzoate de [5-(diméthylsulfamoyl)-2-furyl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-ethoxy-4-methoxy-2-nitro-, [5-[(dimethylamino)sulfonyl]-2-furanyl]methyl ester [ACD/Index 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: 598.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.80
ACD/KOC (pH 5.5): 376.04
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.80
ACD/KOC (pH 7.4): 376.04
Polar Surface Area: 149 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

Click to predict properties on the Chemicalize site


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