ChemSpider 2D Image | 1-(1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl)ethanone | C12H13N3O2

1-(1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl)ethanone

  • Molecular FormulaC12H13N3O2
  • Average mass231.251 Da
  • Monoisotopic mass231.100784 Da
  • ChemSpider ID24746959

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

1-(1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl)ethanone
1-[1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl]ethanon [German] [ACD/IUPAC Name]
1-[1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl]ethanone [ACD/IUPAC Name]
1-[1-(4-Méthoxybenzyl)-1H-1,2,3-triazol-4-yl]éthanone [French] [ACD/IUPAC Name]
88860-93-9 [RN]
Ethanone, 1-[1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
[1001112-90-8] [RN]
[88860-93-9] [RN]
1-(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)ethan-1-one
1-[1-(4-Methoxybenzyl)-1H-[1,2,3]triazol-4-yl]ethanone
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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: 1.2±0.1 g/cm3
    Boiling Point: 420.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±3.0 kJ/mol
    Flash Point: 208.2±31.5 °C
    Index of Refraction: 1.592
    Molar Refractivity: 64.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.12
    ACD/KOC (pH 5.5): 112.08
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.12
    ACD/KOC (pH 7.4): 112.08
    Polar Surface Area: 57 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 191.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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