ChemSpider 2D Image | 6-Bromo-1H-indole-4-carboxylic acid | C9H6BrNO2

6-Bromo-1H-indole-4-carboxylic acid

  • Molecular FormulaC9H6BrNO2
  • Average mass240.053 Da
  • Monoisotopic mass238.958176 Da
  • ChemSpider ID24746764

More details:

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

1H-Indole-4-carboxylic acid, 6-bromo- [ACD/Index Name]
6-Brom-1H-indol-4-carbonsäure [German] [ACD/IUPAC Name]
6-Bromo-1H-indole-4-carboxylic acid [ACD/IUPAC Name]
898746-91-3 [RN]
Acide 6-bromo-1H-indole-4-carboxylique [French] [ACD/IUPAC Name]
[898746-91-3] [RN]
1H-Indole-4-carboxylicacid, 6-bromo-
5-Bromo-1-methyl-2-oxoindoline
6-Bromo-1H-indole-4-carboxylicacid
6-bromo-4-indole carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 464.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 235.0±24.6 °C
    Index of Refraction: 1.749
    Molar Refractivity: 53.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 13.37
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 74.3±3.0 dyne/cm
    Molar Volume: 130.6±3.0 cm3

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