ChemSpider 2D Image | 1-(2-Chlorobenzyl)-5-oxo-D-proline | C12H12ClNO3

1-(2-Chlorobenzyl)-5-oxo-D-proline

  • Molecular FormulaC12H12ClNO3
  • Average mass253.682 Da
  • Monoisotopic mass253.050568 Da
  • ChemSpider ID28498247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-Chlorbenzyl)-5-oxo-D-prolin [German] [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-5-oxo-D-proline [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-5-oxo-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[(2-chlorophenyl)methyl]-5-oxo- [ACD/Index Name]
1254699-81-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.3±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 178.8±3.0 cm3

Click to predict properties on the Chemicalize site


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