ChemSpider 2D Image | 2-Oxo-2-(1-pyrrolidinyl)ethyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate | C17H21BrN2O6S

2-Oxo-2-(1-pyrrolidinyl)ethyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID69548333

More details:

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

2-Oxo-2-(1-pyrrolidinyl)ethyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate [ACD/IUPAC Name]
2-Oxo-2-(1-pyrrolidinyl)ethyl-4-brom-3-(4-morpholinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-Bromo-3-(4-morpholinylsulfonyl)benzoate de 2-oxo-2-(1-pyrrolidinyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-3-(4-morpholinylsulfonyl)-, 2-oxo-2-(1-pyrrolidinyl)ethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.6±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.69
ACD/KOC (pH 5.5): 226.51
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.69
ACD/KOC (pH 7.4): 226.51
Polar Surface Area: 102 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 295.9±3.0 cm3

Click to predict properties on the Chemicalize site


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