ChemSpider 2D Image | 1-(2-Bromo-4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid | C11H9BrClNO3

1-(2-Bromo-4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC11H9BrClNO3
  • Average mass318.551 Da
  • Monoisotopic mass316.945435 Da
  • ChemSpider ID24791302

More details:

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

1-(2-Brom-4-chlorphenyl)-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-(2-Bromo-4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(2-bromo-4-chlorophenyl)-5-oxo- [ACD/Index Name]
Acide 1-(2-bromo-4-chlorophényl)-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1-(2-Bromo-4-chloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 573.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 180.8±3.0 cm3

Click to predict properties on the Chemicalize site


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