ChemSpider 2D Image | 1-tert-Butyl 2-methyl 5-bromo-1H-pyrrole-1,2-dicarboxylate | C11H14BrNO4

1-tert-Butyl 2-methyl 5-bromo-1H-pyrrole-1,2-dicarboxylate

  • Molecular FormulaC11H14BrNO4
  • Average mass304.137 Da
  • Monoisotopic mass303.010620 Da
  • ChemSpider ID28534714

More details:

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

1H-Pyrrole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) 2-methyl ester [ACD/Index Name]
1-tert-Butyl 2-methyl 5-bromo-1H-pyrrole-1,2-dicarboxylate
2-Methyl 1-(2-methyl-2-propanyl) 5-bromo-1H-pyrrole-1,2-dicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-5-brom-1H-pyrrol-1,2-dicarboxylat [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrrole-1,2-dicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
924708-81-6 [RN]
[924708-81-6] [RN]
1-(tert-butyl) 2-methyl 5-bromo-1H-pyrrole-1,2-dicarboxylate
1H-Pyrrole-1,2-dicarboxylic acid,5-bromo-,1-(1,1-dimethyl ethyl)2-methyl ester
1H-Pyrrole-1,2-dicarboxylic acid,5-bromo-,1-(1,1-dimethylethyl)2-methyl ester
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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: 349.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.3±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: 3.08
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.35
ACD/KOC (pH 5.5): 1028.39
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.35
ACD/KOC (pH 7.4): 1028.39
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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