ChemSpider 2D Image | 5-Chloro-6-isopropoxy-1-benzofuran-2-carboxylic acid | C12H11ClO4

5-Chloro-6-isopropoxy-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC12H11ClO4
  • Average mass254.666 Da
  • Monoisotopic mass254.034592 Da
  • ChemSpider ID35480062

More details:

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

1352524-28-7 [RN]
2-Benzofurancarboxylic acid, 5-chloro-6-(1-methylethoxy)- [ACD/Index Name]
5-Chlor-6-isopropoxy-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
5-chloro-6-(propan-2-yloxy)-1-benzofuran-2-carboxylic acid
5-Chloro-6-isopropoxy-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-6-isopropoxy-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
5-Chloro-6-isopropoxybenzofuran-2-carboxylic acid
5-Chloro-6-isopropoxy-benzofuran-2-carboxylic acid
5-chloro-6-propan-2-yloxy-1-benzofuran-2-carboxylic acid
MFCD20534865

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 393.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 191.5±26.5 °C
    Index of Refraction: 1.597
    Molar Refractivity: 64.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 1.58
    ACD/KOC (pH 5.5): 10.55
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.68
    Polar Surface Area: 60 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 188.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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