ChemSpider 2D Image | 5-Nitro-3-propoxy-1-benzofuran-2-carboxylic acid | C12H11NO6

5-Nitro-3-propoxy-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC12H11NO6
  • Average mass265.219 Da
  • Monoisotopic mass265.058624 Da
  • ChemSpider ID35492224

More details:

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

1707581-39-2 [RN]
2-Benzofurancarboxylic acid, 5-nitro-3-propoxy- [ACD/Index Name]
5-Nitro-3-propoxy-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
5-Nitro-3-propoxy-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-nitro-3-propoxy-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
5-Nitro-3-propoxybenzofuran-2-carboxylic acid
5-Nitro-3-propoxy-benzofuran-2-carboxylic acid
MFCD26129427

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 442.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±3.0 kJ/mol
    Flash Point: 221.4±27.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.03
    ACD/LogD (pH 7.4): -0.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 58.4±3.0 dyne/cm
    Molar Volume: 187.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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