ChemSpider 2D Image | Methyl 5-bromo-1H-indole-7-carboxylate | C10H8BrNO2

Methyl 5-bromo-1H-indole-7-carboxylate

  • Molecular FormulaC10H8BrNO2
  • Average mass254.080 Da
  • Monoisotopic mass252.973831 Da
  • ChemSpider ID23346756

More details:

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

1H-Indole-7-carboxylic acid, 5-bromo-, methyl ester [ACD/Index Name]
5-Bromo-1H-indole-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
860624-89-1 [RN]
Methyl 5-bromo-1H-indole-7-carboxylate [ACD/IUPAC Name]
Methyl-5-brom-1H-indol-7-carboxylat [German] [ACD/IUPAC Name]
[860624-89-1] [RN]
1h-​indole-​7-​carboxylic acid, 5-​bromo-​, methyl ester
1h-???indole-???7-???carboxylic acid, 5-???bromo-???, methyl ester
1-Tosyl-1H-1,2,3-triazole
5-Bromo Indole-7-Carboxylic Acid Methyl Ester
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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: 1.6±0.1 g/cm3
    Boiling Point: 382.6±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.2±22.3 °C
    Index of Refraction: 1.666
    Molar Refractivity: 58.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 169.46
    ACD/KOC (pH 5.5): 1371.45
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 169.46
    ACD/KOC (pH 7.4): 1371.45
    Polar Surface Area: 42 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 55.7±3.0 dyne/cm
    Molar Volume: 155.9±3.0 cm3

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