ChemSpider 2D Image | 2-Acetyl-3-bromopyridine | C7H6BrNO

2-Acetyl-3-bromopyridine

  • Molecular FormulaC7H6BrNO
  • Average mass200.033 Da
  • Monoisotopic mass198.963272 Da
  • ChemSpider ID27768643

More details:

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

1-(3-Brom-2-pyridinyl)ethanon [German] [ACD/IUPAC Name]
1-(3-Bromo-2-pyridinyl)ethanone [ACD/IUPAC Name]
1-(3-Bromo-2-pyridinyl)éthanone [French] [ACD/IUPAC Name]
111043-09-5 [RN]
2-Acetyl-3-bromopyridine
Ethanone, 1-(3-bromo-2-pyridinyl)- [ACD/Index Name]
[111043-09-5] [RN]
1-(3-bromo-2-pyridyl)ethanone
1-(3-Bromopyridin-2-yl)ethan-1-one
1-(3-Bromopyridin-2-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: 1.5±0.1 g/cm3
    Boiling Point: 246.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 102.6±23.2 °C
    Index of Refraction: 1.558
    Molar Refractivity: 42.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.24
    ACD/KOC (pH 5.5): 196.71
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.24
    ACD/KOC (pH 7.4): 196.71
    Polar Surface Area: 30 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 44.7±3.0 dyne/cm
    Molar Volume: 130.4±3.0 cm3

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