ChemSpider 2D Image | Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate | C9H12BrNO3

Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate

  • Molecular FormulaC9H12BrNO3
  • Average mass262.100 Da
  • Monoisotopic mass261.000061 Da
  • ChemSpider ID32058566

More details:

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

106556-67-6 [RN]
1H-Pyrrole-1-carboxylic acid, 4-bromo-2,3-dihydro-2,2-dimethyl-3-oxo-, ethyl ester [ACD/Index Name]
4-Bromo-2,2-diméthyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-bromo-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrole-1-carboxylate [ACD/IUPAC Name]
Ethyl 4-bromo-2,3-dihydro-2,2-dimethyl-3-oxo-1H-pyrrole-1-carboxylate
Ethyl-4-brom-2,2-dimethyl-3-oxo-2,3-dihydro-1H-pyrrol-1-carboxylat [German] [ACD/IUPAC Name]
MFCD28099676

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

Density: 1.5±0.1 g/cm3
Boiling Point: 290.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 129.4±27.3 °C
Index of Refraction: 1.536
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.31
ACD/KOC (pH 5.5): 158.48
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.31
ACD/KOC (pH 7.4): 158.48
Polar Surface Area: 47 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

Click to predict properties on the Chemicalize site


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