ChemSpider 2D Image | tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate | C9H12BrNO3

tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

  • Molecular FormulaC9H12BrNO3
  • Average mass262.100 Da
  • Monoisotopic mass261.000061 Da
  • ChemSpider ID28295507

More details:

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

1,1-Dimethylethyl 4-bromo-2,5-dihydro-2-oxo-1H-pyrrole-1-carboxylate
1H-Pyrrole-1-carboxylic acid, 4-bromo-2,5-dihydro-2-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-brom-2-oxo-2,5-dihydro-1H-pyrrol-1-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
947407-87-6 [RN]
tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
[947407-87-6] [RN]
1H-?Pyrrole-?1-?carboxylic acid, 4-?bromo-?2,?5-?dihydro-?2-?oxo-?, 1,?1-?dimethylethyl ester
GS-6192
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 279.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.8±3.0 kJ/mol
    Flash Point: 122.6±30.1 °C
    Index of Refraction: 1.556
    Molar Refractivity: 54.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.10
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 8.89
    ACD/KOC (pH 5.5): 166.34
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 8.89
    ACD/KOC (pH 7.4): 166.34
    Polar Surface Area: 47 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 169.1±3.0 cm3

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