ChemSpider 2D Image | Ethyl 4-methyl-3-(methylsulfonyl)-5-nitrobenzoate | C11H13NO6S

Ethyl 4-methyl-3-(methylsulfonyl)-5-nitrobenzoate

  • Molecular FormulaC11H13NO6S
  • Average mass287.289 Da
  • Monoisotopic mass287.046356 Da
  • ChemSpider ID28535286

More details:

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

4-Méthyl-3-(méthylsulfonyl)-5-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
52317-31-4 [RN]
Benzoic acid, 4-methyl-3-(methylsulfonyl)-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-3-(methylsulfonyl)-5-nitrobenzoate [ACD/IUPAC Name]
Ethyl-4-methyl-3-(methylsulfonyl)-5-nitrobenzoat [German] [ACD/IUPAC Name]
[52317-31-4] [RN]
Ethyl 3-(methanesulfonyl)-4-methyl-5-nitrobenzoate
ETHYL 3-METHANESULFONYL-4-METHYL-5-NITROBENZOATE
Ethyl4-methyl-3-(methylsulfonyl)-5-nitrobenzoate
MFCD22493441

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

Density: 1.3±0.1 g/cm3
Boiling Point: 482.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.4±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 187.60
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.52
ACD/KOC (pH 7.4): 187.60
Polar Surface Area: 115 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 213.7±3.0 cm3

Click to predict properties on the Chemicalize site


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