ChemSpider 2D Image | Methyl 4-methoxy-3-nitrobenzenesulfonate | C8H9NO6S

Methyl 4-methoxy-3-nitrobenzenesulfonate

  • Molecular FormulaC8H9NO6S
  • Average mass247.225 Da
  • Monoisotopic mass247.015060 Da
  • ChemSpider ID35799421

More details:

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

4-Méthoxy-3-nitrobenzènesulfonate de méthyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-methoxy-3-nitro-, methyl ester [ACD/Index Name]
Methyl 4-methoxy-3-nitrobenzenesulfonate [ACD/IUPAC Name]
Methyl-4-methoxy-3-nitrobenzolsulfonat [German] [ACD/IUPAC Name]
3-NITRO-4-METHOXY-BENZENE SULFONIC ACID METHYL ESTER
73822-67-0 [RN]
Methyl 4-methoxy-3-nitrobenzene-1-sulfonate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 399.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 195.5±25.1 °C
Index of Refraction: 1.539
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.87
ACD/KOC (pH 5.5): 166.00
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.87
ACD/KOC (pH 7.4): 166.00
Polar Surface Area: 107 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 173.4±3.0 cm3

Click to predict properties on the Chemicalize site


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