ChemSpider 2D Image | Ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate | C12H12BrNO2

Ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate

  • Molecular FormulaC12H12BrNO2
  • Average mass282.133 Da
  • Monoisotopic mass281.005127 Da
  • ChemSpider ID26530310

More details:

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

1245933-87-2 [RN]
1H-Indole-3-carboxylic acid, 5-bromo-2-methyl-, ethyl ester [ACD/Index Name]
5-Bromo-2-méthyl-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-2-methyl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
[1245933-87-2] [RN]
Ethyl5-bromo-2-methyl-1H-indole-3-carboxylate
ETHYL-5-BROMO-2-METHYL-1H-INDOLE-3-CARBOXYLATE
MFCD18711563 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 394.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.5±26.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 67.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.39
    ACD/LogD (pH 5.5): 4.18
    ACD/BCF (pH 5.5): 886.25
    ACD/KOC (pH 5.5): 4481.89
    ACD/LogD (pH 7.4): 4.18
    ACD/BCF (pH 7.4): 886.25
    ACD/KOC (pH 7.4): 4481.89
    Polar Surface Area: 42 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 188.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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