ChemSpider 2D Image | 3,4-dibromopyrrole-2-carboxylic acid | C5H3Br2NO2

3,4-dibromopyrrole-2-carboxylic acid

  • Molecular FormulaC5H3Br2NO2
  • Average mass268.891 Da
  • Monoisotopic mass266.853027 Da
  • ChemSpider ID23076698

More details:

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

1H-Pyrrole-2-carboxylic acid, 3,4-dibromo- [ACD/Index Name]
3,4-Dibrom-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
3,4-Dibromo-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
3,4-dibromopyrrole-2-carboxylic acid
Acide 3,4-dibromo-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
155906-77-7 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 431.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.0±28.7 °C
Index of Refraction: 1.689
Molar Refractivity: 43.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 112.7±3.0 cm3

Click to predict properties on the Chemicalize site


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