ChemSpider 2D Image | 1-(5-Bromo-2-nitrophenyl)-L-proline | C11H11BrN2O4

1-(5-Bromo-2-nitrophenyl)-L-proline

  • Molecular FormulaC11H11BrN2O4
  • Average mass315.120 Da
  • Monoisotopic mass313.990204 Da
  • ChemSpider ID21107811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(5-Brom-2-nitrophenyl)-L-prolin [German] [ACD/IUPAC Name]
1-(5-Bromo-2-nitrophenyl)-L-proline [ACD/IUPAC Name]
1-(5-Bromo-2-nitrophényl)-L-proline [French] [ACD/IUPAC Name]
305790-76-5 [RN]
L-Proline, 1-(5-bromo-2-nitrophenyl)- [ACD/Index Name]
N-(5-Bromo-2-nitrophenyl)-L-proline
(S)-1-(5-Bromo-2-nitrophenyl)pyrrolidine-2-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 28.92
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 184.2±3.0 cm3

Click to predict properties on the Chemicalize site


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