ChemSpider 2D Image | 5-Chloro-6-(ethoxycarbonyl)nicotinic acid | C9H8ClNO4

5-Chloro-6-(ethoxycarbonyl)nicotinic acid

  • Molecular FormulaC9H8ClNO4
  • Average mass229.617 Da
  • Monoisotopic mass229.014191 Da
  • ChemSpider ID25076868

More details:

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

1198475-22-7 [RN]
1-Ethyl 3-chloroIsocinchomeronic acid
2,5-Pyridinedicarboxylic acid, 3-chloro-, 2-ethyl ester [ACD/Index Name]
5-Chlor-6-(ethoxycarbonyl)nicotinsäure [German] [ACD/IUPAC Name]
5-Chloro-6-(ethoxycarbonyl)-3-pyridinecarboxylic acid
5-Chloro-6-(ethoxycarbonyl)nicotinic acid [ACD/IUPAC Name]
Acide 5-chloro-6-(éthoxycarbonyl)nicotinique [French] [ACD/IUPAC Name]
T6NJ BVO2 CG EVQ [WLN]
5-Carboxy-3-chloro-2-(ethoxycarbonyl)pyridine
5-chloro-6-(ethoxycarbonyl)nicotinicacid
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 399.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±3.0 kJ/mol
    Flash Point: 195.6±27.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 52.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 57.1±3.0 dyne/cm
    Molar Volume: 161.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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