ChemSpider 2D Image | 6-Chloro-3-hydroxy-1-benzothiophene-2-carboxylic acid | C9H5ClO3S

6-Chloro-3-hydroxy-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC9H5ClO3S
  • Average mass228.652 Da
  • Monoisotopic mass227.964798 Da
  • ChemSpider ID28521261

More details:

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

1393803-55-8 [RN]
6-Chlor-3-hydroxy-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-3-hydroxy-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
6-Chloro-3-hydroxybenzo[b]thiophene-2-carboxylic acid
Acide 6-chloro-3-hydroxy-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-hydroxy- [ACD/Index Name]
MFCD25958795 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 444.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 222.3±28.7 °C
    Index of Refraction: 1.765
    Molar Refractivity: 56.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.74
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.04
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.53
    Polar Surface Area: 86 Å2
    Polarizability: 22.3±0.5 10-24cm3
    Surface Tension: 80.6±3.0 dyne/cm
    Molar Volume: 135.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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