ChemSpider 2D Image | 4,5-Dibromo-3-methyl-1H-pyrrole-2-carboxylic acid | C6H5Br2NO2

4,5-Dibromo-3-methyl-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC6H5Br2NO2
  • Average mass282.917 Da
  • Monoisotopic mass280.868683 Da
  • ChemSpider ID21787421

More details:

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

1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-3-methyl- [ACD/Index Name]
4,5-Dibrom-3-methyl-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4,5-Dibromo-3-methyl-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4,5-dibromo-3-méthyl-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
1092286-12-8 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 428.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 212.7±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 15.54
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 128.9±3.0 cm3

Click to predict properties on the Chemicalize site


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