ChemSpider 2D Image | 3-(1H-Imidazol-1-yl)benzaldehyde | C10H8N2O

3-(1H-Imidazol-1-yl)benzaldehyde

  • Molecular FormulaC10H8N2O
  • Average mass172.183 Da
  • Monoisotopic mass172.063660 Da
  • ChemSpider ID21474538

More details:

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

127404-22-2 [RN]
3-(1H-Imidazol-1-yl)benzaldehyd [German] [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)benzaldehyde [ACD/IUPAC Name]
3-(1H-Imidazol-1-yl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-(1H-imidazol-1-yl)- [ACD/Index Name]
(R)-1-(2-(tert-butoxycarbonyl)acetyl)pyrrolidine-2-carboxylic acid
[1,1',3',1/,3/,1'-Quaterphenyl]-3,3'''-dicarbonaldehyde
[127404-22-2] [RN]
1-(3-Formylphenyl)-1H-imidazole
3-(1-Imidazolyl)benzaldehyde
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 356.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 169.7±23.2 °C
    Index of Refraction: 1.605
    Molar Refractivity: 51.4±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.20
    ACD/BCF (pH 5.5): 4.30
    ACD/KOC (pH 5.5): 86.77
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.73
    ACD/KOC (pH 7.4): 135.98
    Polar Surface Area: 35 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 46.8±7.0 dyne/cm
    Molar Volume: 149.3±7.0 cm3

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