ChemSpider 2D Image | MFCD07369966 | C9H6BrNO2

MFCD07369966

  • Molecular FormulaC9H6BrNO2
  • Average mass240.053 Da
  • Monoisotopic mass238.958176 Da
  • ChemSpider ID21168941

More details:

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

1H-Indole-3-carboxylic acid, 7-bromo- [ACD/Index Name]
7-Brom-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
7-Bromo-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
86153-25-5 [RN]
Acide 7-bromo-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD07369966
[86153-25-5] [RN]
1H-INDOLE-3-CARBOXYLIC ACID,7-BROMO-
7-Bromo-1H-Indole-3-Carboxylic Acid (en)
7-Bromo-1Hindole-3-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
LY451395 [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: 470.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 238.6±23.2 °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: 2.76
    ACD/LogD (pH 5.5): 0.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.77
    ACD/LogD (pH 7.4): -0.33
    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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