ChemSpider 2D Image | Methyl 2,5-dibromo-1H-pyrrole-3-carboxylate | C6H5Br2NO2

Methyl 2,5-dibromo-1H-pyrrole-3-carboxylate

  • Molecular FormulaC6H5Br2NO2
  • Average mass282.917 Da
  • Monoisotopic mass280.868683 Da
  • ChemSpider ID30854773

More details:

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

1598381-37-3 [RN]
1H-Pyrrole-3-carboxylic acid, 2,5-dibromo-, methyl ester [ACD/Index Name]
2,5-Dibromo-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,5-dibromo-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-2,5-dibrom-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
AJ-138505
AK151326
AKOS024259231
BD280633
DS-9469
More...

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 382.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.2±26.5 °C
    Index of Refraction: 1.610
    Molar Refractivity: 47.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.08
    ACD/KOC (pH 5.5): 886.27
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 92.08
    ACD/KOC (pH 7.4): 886.27
    Polar Surface Area: 42 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 138.0±3.0 cm3

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