ChemSpider 2D Image | 5-Bromo-1H-pyrrole-3-carboxylic acid | C5H4BrNO2

5-Bromo-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC5H4BrNO2
  • Average mass189.995 Da
  • Monoisotopic mass188.942535 Da
  • ChemSpider ID26054915

More details:

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

1269152-69-3 [RN]
1H-Pyrrole-3-carboxylic acid, 5-bromo- [ACD/Index Name]
5-Brom-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Bromo-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD18380788 [MDL number]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 393.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.5±23.7 °C
Index of Refraction: 1.653
Molar Refractivity: 35.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 20.22
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 70.5±3.0 dyne/cm
Molar Volume: 96.5±3.0 cm3

Click to predict properties on the Chemicalize site


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