ChemSpider 2D Image | 4-Bromo-5-methyl-1H-pyrrole-2-carbonitrile | C6H5BrN2

4-Bromo-5-methyl-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC6H5BrN2
  • Average mass185.021 Da
  • Monoisotopic mass183.963608 Da
  • ChemSpider ID28542440

More details:

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

1350521-56-0 [RN]
1H-Pyrrole-2-carbonitrile, 4-bromo-5-methyl- [ACD/Index Name]
4-Brom-5-methyl-1H-pyrrol-2-carbonitril [German] [ACD/IUPAC Name]
4-Bromo-5-methyl-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
4-Bromo-5-méthyl-1H-pyrrole-2-carbonitrile [French] [ACD/IUPAC Name]
MFCD20502407 [MDL number]
95%

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 302.0±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.2±3.0 kJ/mol
    Flash Point: 136.4±26.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 37.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.07
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.69
    ACD/KOC (pH 5.5): 214.53
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.69
    ACD/KOC (pH 7.4): 214.53
    Polar Surface Area: 40 Å2
    Polarizability: 14.9±0.5 10-24cm3
    Surface Tension: 60.9±5.0 dyne/cm
    Molar Volume: 108.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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