ChemSpider 2D Image | 4-Bromo-1H-imidazole-5-carbaldehyde | C4H3BrN2O

4-Bromo-1H-imidazole-5-carbaldehyde

  • Molecular FormulaC4H3BrN2O
  • Average mass174.983 Da
  • Monoisotopic mass173.942871 Da
  • ChemSpider ID24722003

More details:

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

1H-Imidazole-5-carboxaldehyde, 4-bromo- [ACD/Index Name]
4-Brom-1H-imidazol-5-carbaldehyd [German] [ACD/IUPAC Name]
4-Bromo-1H-imidazole-5-carbaldehyde [ACD/IUPAC Name]
4-Bromo-1H-imidazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
50743-01-6 [RN]
5-Bromo-1H-imidazole-4-carbaldehyde
1H-Imidazole-4-carboxaldehyde, 5-bromo-
4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane
MFCD11100418
MFCD21336623 [MDL number]

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

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 404.4±25.0 °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: 198.4±23.2 °C
    Index of Refraction: 1.671
    Molar Refractivity: 33.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): 0.82
    ACD/BCF (pH 5.5): 2.46
    ACD/KOC (pH 5.5): 66.28
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.44
    ACD/KOC (pH 7.4): 65.74
    Polar Surface Area: 46 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 69.6±3.0 dyne/cm
    Molar Volume: 88.8±3.0 cm3

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