ChemSpider 2D Image | 6-Chloro-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid | C9H5ClN2O3

6-Chloro-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid

  • Molecular FormulaC9H5ClN2O3
  • Average mass224.601 Da
  • Monoisotopic mass223.998871 Da
  • ChemSpider ID32057625

More details:

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

3-Cinnolinecarboxylic acid, 6-chloro-1,4-dihydro-4-oxo- [ACD/Index Name]
6-Chlor-4-oxo-1,4-dihydro-3-cinnolincarbonsäure [German] [ACD/IUPAC Name]
6-Chloro-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid [ACD/IUPAC Name]
6-Chloro-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
90272-08-5 [RN]
Acide 6-chloro-4-oxo-1,4-dihydro-3-cinnolinecarboxylique [French] [ACD/IUPAC Name]
3-Cinnolinecarboxylic acid, 6-chloro-4-hydroxy-
6-Chloro-4-hydroxycinnoline-3-carboxylic acid
6-Chloro-4-hydroxy-cinnoline-3-carboxylic acid
6-Chloro-4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 474.5±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.7±3.0 kJ/mol
    Flash Point: 240.8±29.3 °C
    Index of Refraction: 1.728
    Molar Refractivity: 52.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.80
    ACD/LogD (pH 5.5): -2.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 68.9±7.0 dyne/cm
    Molar Volume: 131.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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