ChemSpider 2D Image | Methyl 3,4-dibromo-2H-pyrrole-5-carboxylate | C6H5Br2NO2

Methyl 3,4-dibromo-2H-pyrrole-5-carboxylate

  • Molecular FormulaC6H5Br2NO2
  • Average mass282.917 Da
  • Monoisotopic mass280.868683 Da
  • ChemSpider ID109775518

More details:

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

2H-Pyrrole-5-carboxylic acid, 3,4-dibromo-, methyl ester [ACD/Index Name]
3,4-Dibromo-2H-pyrrole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3,4-dibromo-2H-pyrrole-5-carboxylate [ACD/IUPAC Name]
Methyl-3,4-dibrom-2H-pyrrol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 277.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.9±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 47.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.87
ACD/KOC (pH 5.5): 192.00
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.87
ACD/KOC (pH 7.4): 192.00
Polar Surface Area: 39 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 133.3±7.0 cm3

Click to predict properties on the Chemicalize site


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