ChemSpider 2D Image | 5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde | C13H12BrNO2

5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde

  • Molecular FormulaC13H12BrNO2
  • Average mass294.144 Da
  • Monoisotopic mass293.005127 Da
  • ChemSpider ID25949366

More details:

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

1133116-27-4 [RN]
1H-Pyrrole-2-carboxaldehyde, 5-bromo-1-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
5-Brom-1-(4-methoxybenzyl)-1H-pyrrol-2-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde [ACD/IUPAC Name]
5-Bromo-1-(4-méthoxybenzyl)-1H-pyrrole-2-carbaldéhyde [French] [ACD/IUPAC Name]
[1133116-27-4] [RN]
5-Bromo-1-(4-methoxybenzyl)pyrrole-2-carbaldehyde
5-Bromo-1-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carbaldehyde
5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbaldehyde
HI-1478
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 404.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.6±3.0 kJ/mol
    Flash Point: 198.5±25.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 70.9±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): 3.04
    ACD/BCF (pH 5.5): 119.69
    ACD/KOC (pH 5.5): 1069.27
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 119.69
    ACD/KOC (pH 7.4): 1069.27
    Polar Surface Area: 31 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 43.3±7.0 dyne/cm
    Molar Volume: 211.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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