ChemSpider 2D Image | 1-tert-butyl 2-methyl 3-bromo-1h-pyrrole-1,2-dicarboxylate | C11H14BrNO4

1-tert-butyl 2-methyl 3-bromo-1h-pyrrole-1,2-dicarboxylate

  • Molecular FormulaC11H14BrNO4
  • Average mass304.137 Da
  • Monoisotopic mass303.010620 Da
  • ChemSpider ID29784259

More details:

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

1097834-88-2 [RN]
1H-Pyrrole-1,2-dicarboxylic acid, 3-bromo-, 1-(1,1-dimethylethyl) 2-methyl ester [ACD/Index Name]
1-tert-butyl 2-methyl 3-bromo-1h-pyrrole-1,2-dicarboxylate
2-Methyl 1-(2-methyl-2-propanyl) 3-bromo-1H-pyrrole-1,2-dicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-3-brom-1H-pyrrol-1,2-dicarboxylat [German] [ACD/IUPAC Name]
3-Bromo-1H-pyrrole-1,2-dicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-t-Butyl 2-methyl 3-bromo-1H-pyrrole-1,2-dicarboxylate
1-tert-butyl 2-methyl 3-bromopyrrole-1,2-dicarboxylate
3-Bromo-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
COC(=O)C1=C(Br)C=CN1C(=O)OC(C)(C)C
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 347.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 163.7±28.7 °C
    Index of Refraction: 1.533
    Molar Refractivity: 66.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.75
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 83.41
    ACD/KOC (pH 5.5): 825.72
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 83.41
    ACD/KOC (pH 7.4): 825.72
    Polar Surface Area: 58 Å2
    Polarizability: 26.4±0.5 10-24cm3
    Surface Tension: 39.5±7.0 dyne/cm
    Molar Volume: 214.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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