ChemSpider 2D Image | 3-Bromo-1H-pyrrole-2-carboxylic acid | C5H4BrNO2

3-Bromo-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC5H4BrNO2
  • Average mass189.995 Da
  • Monoisotopic mass188.942535 Da
  • ChemSpider ID26518989

More details:

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

145821-55-2 [RN]
1H-Pyrrole-2-carboxylic acid, 3-bromo- [ACD/Index Name]
3-Brom-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
3-Bromo-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
3-BROMO-1H-PYRROLE-2-CARBOXYLICACID
BS-15434
MFCD28128036

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 385.9±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 187.2±23.7 °C
    Index of Refraction: 1.653
    Molar Refractivity: 35.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.10
    ACD/LogD (pH 5.5): -0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.69
    ACD/LogD (pH 7.4): -1.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 14.0±0.5 10-24cm3
    Surface Tension: 70.5±3.0 dyne/cm
    Molar Volume: 96.5±3.0 cm3

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