ChemSpider 2D Image | Methyl 2-[(~2~H_3_)methyloxy]-5-nitrobenzoate | C9H6D3NO5

Methyl 2-[(2H3)methyloxy]-5-nitrobenzoate

  • Molecular FormulaC9H6D3NO5
  • Average mass214.190 Da
  • Monoisotopic mass214.066910 Da
  • ChemSpider ID128938506

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2H3)Méthyloxy]-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(methyl-d3-oxy)-5-nitro-, methyl ester [ACD/Index Name]
Methyl 2-[(2H3)methyloxy]-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-[(2H3)methyloxy]-5-nitrobenzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 350.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 168.3±24.3 °C
Index of Refraction: 1.541
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.66
ACD/KOC (pH 5.5): 293.47
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.66
ACD/KOC (pH 7.4): 293.47
Polar Surface Area: 81 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 163.2±3.0 cm3

Click to predict properties on the Chemicalize site


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