ChemSpider 2D Image | 2-(Methylsulfonyl)-5-nitrobenzaldehyde | C8H7NO5S

2-(Methylsulfonyl)-5-nitrobenzaldehyde

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID30782866

More details:






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

2-(Methylsulfonyl)-5-nitrobenzaldehyd [German] [ACD/IUPAC Name]
2-(Methylsulfonyl)-5-nitrobenzaldehyde [ACD/IUPAC Name]
2-(Méthylsulfonyl)-5-nitrobenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 2-(methylsulfonyl)-5-nitro- [ACD/Index Name]
[1423037-20-0]
1423037-20-0 [RN]
2-Methanesulfonyl-5-nitrobenzaldehyde
LD-0984
MFCD23135930

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 462.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.55
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.55
Polar Surface Area: 105 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 154.7±3.0 cm3

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