ChemSpider 2D Image | MFCD13178669 | C5H4BrNO

MFCD13178669

  • Molecular FormulaC5H4BrNO
  • Average mass173.995 Da
  • Monoisotopic mass172.947617 Da
  • ChemSpider ID27021031

More details:

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

1H-Pyrrole-2-carboxaldehyde, 5-bromo- [ACD/Index Name]
5-Brom-1H-pyrrol-2-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrrole-2-carbaldehyde [ACD/IUPAC Name]
5-Bromo-1H-pyrrole-2-carbaldéhyde [French] [ACD/IUPAC Name]
5-Bromo-1H-pyrrole-2-carboxaldehyde
931-34-0 [RN]
MFCD13178669
[931-34-0] [RN]
5-bromo-1H-pyrrole-2-carbaxaldehyde
AG-H-80909
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 282.1±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 124.4±21.8 °C
    Index of Refraction: 1.656
    Molar Refractivity: 35.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 11.50
    ACD/KOC (pH 5.5): 199.93
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 11.50
    ACD/KOC (pH 7.4): 199.93
    Polar Surface Area: 33 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 56.8±3.0 dyne/cm
    Molar Volume: 95.6±3.0 cm3

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