ChemSpider 2D Image | Ethyl 4-{(4-fluorobenzyl)[(3-nitrophenyl)sulfonyl]amino}butanoate | C19H21FN2O6S

Ethyl 4-{(4-fluorobenzyl)[(3-nitrophenyl)sulfonyl]amino}butanoate

  • Molecular FormulaC19H21FN2O6S
  • Average mass424.443 Da
  • Monoisotopic mass424.110443 Da
  • ChemSpider ID22475345

More details:

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

4-{(4-Fluorobenzyl)[(3-nitrophényl)sulfonyl]amino}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(4-fluorophenyl)methyl][(3-nitrophenyl)sulfonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{(4-fluorobenzyl)[(3-nitrophenyl)sulfonyl]amino}butanoate [ACD/IUPAC Name]
Ethyl-4-{(4-fluorbenzyl)[(3-nitrophenyl)sulfonyl]amino}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.0±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 470.29
ACD/KOC (pH 5.5): 2847.63
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 470.29
ACD/KOC (pH 7.4): 2847.63
Polar Surface Area: 118 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 317.7±3.0 cm3

Click to predict properties on the Chemicalize site


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