ChemSpider 2D Image | 3'-Bromo-4'-(1-pyrazolyl)acetophenone | C11H9BrN2O

3'-Bromo-4'-(1-pyrazolyl)acetophenone

  • Molecular FormulaC11H9BrN2O
  • Average mass265.106 Da
  • Monoisotopic mass263.989807 Da
  • ChemSpider ID24605422

More details:

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

1-[3-Brom-4-(1H-pyrazol-1-yl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3-Bromo-4-(1H-pyrazol-1-yl)phenyl]ethanone [ACD/IUPAC Name]
1-[3-Bromo-4-(1H-pyrazol-1-yl)phényl]éthanone [French] [ACD/IUPAC Name]
1186663-58-0 [RN]
3'-Bromo-4'-(1-pyrazolyl)acetophenone
Ethanone, 1-[3-bromo-4-(1H-pyrazol-1-yl)phenyl]- [ACD/Index Name]
[1186663-58-0] [RN]
1-(3-bromo-4-(1H-pyrazol-1-yl)phenyl)ethanone
1-(3-bromo-4-pyrazol-1-ylphenyl)ethanone
1-[3-Bromo-4-(1H-pyrazol-1-yl)phenyl]ethan-1-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 385.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 186.9±26.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 63.4±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.83
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.26
    ACD/KOC (pH 5.5): 622.86
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.26
    ACD/KOC (pH 7.4): 622.86
    Polar Surface Area: 35 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 47.5±7.0 dyne/cm
    Molar Volume: 177.1±7.0 cm3

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