ChemSpider 2D Image | Methyl 2-(5-amino-4-cyano-2-furyl)benzoate | C13H10N2O3

Methyl 2-(5-amino-4-cyano-2-furyl)benzoate

  • Molecular FormulaC13H10N2O3
  • Average mass242.230 Da
  • Monoisotopic mass242.069138 Da
  • ChemSpider ID26403749

More details:

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

1261268-76-1 [RN]
2-(5-Amino-4-cyano-2-furyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(5-amino-4-cyano-2-furanyl)-, methyl ester [ACD/Index Name]
Methyl 2-(5-amino-4-cyano-2-furyl)benzoate [ACD/IUPAC Name]
Methyl 2-(5-amino-4-cyanofuran-2-yl)benzoate
Methyl-2-(5-amino-4-cyan-2-furyl)benzoat [German] [ACD/IUPAC Name]
[1261268-76-1] [RN]
5166-67-6 [RN]
Azidocyclohexane [ACD/IUPAC Name]
Methyl2-(5-Amino-4-cyano-2-furyl)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.6±28.7 °C
    Index of Refraction: 1.615
    Molar Refractivity: 63.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 2.20
    ACD/BCF (pH 5.5): 27.48
    ACD/KOC (pH 5.5): 372.96
    ACD/LogD (pH 7.4): 2.20
    ACD/BCF (pH 7.4): 27.48
    ACD/KOC (pH 7.4): 372.96
    Polar Surface Area: 89 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 181.3±5.0 cm3

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