ChemSpider 2D Image | Dimethyl 5-(2,6-dimethyl-4-pyridinyl)-2-nitroisophthalate | C17H16N2O6

Dimethyl 5-(2,6-dimethyl-4-pyridinyl)-2-nitroisophthalate

  • Molecular FormulaC17H16N2O6
  • Average mass344.319 Da
  • Monoisotopic mass344.100830 Da
  • ChemSpider ID23080325

More details:

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

1,3-Benzenedicarboxylic acid, 5-(2,6-dimethyl-4-pyridinyl)-2-nitro-, dimethyl ester [ACD/Index Name]
5-(2,6-Diméthyl-4-pyridinyl)-2-nitroisophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-(2,6-dimethyl-4-pyridinyl)-2-nitroisophthalate [ACD/IUPAC Name]
dimethyl 5-(2,6-dimethylpyridin-4-yl)-2-nitrobenzene-1,3-dicarboxylate
Dimethyl-5-(2,6-dimethyl-4-pyridinyl)-2-nitroisophthalat [German] [ACD/IUPAC Name]
925611-58-1 [RN]
dimethyl 5-(2,6-dimethylpyridin-4-yl)-2-nitroisophthalate
methyl 5-(2,6-dimethyl(4-pyridyl))-3-(methoxycarbonyl)-2-nitrobenzoate
MFCD09416956

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 468.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 236.8±28.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 88.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 95.26
    ACD/KOC (pH 5.5): 880.20
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 106.14
    ACD/KOC (pH 7.4): 980.72
    Polar Surface Area: 111 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 268.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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