ChemSpider 2D Image | Ethyl (2R,3R)-5-bromo-3-[(diphenylphosphorothioyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate | C23H21BrNO3PS

Ethyl (2R,3R)-5-bromo-3-[(diphenylphosphorothioyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate

  • Molecular FormulaC23H21BrNO3PS
  • Average mass502.361 Da
  • Monoisotopic mass501.016296 Da
  • ChemSpider ID30659405

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-5-Bromo-3-[(diphénylphosphorothioyl)amino]-2,3-dihydro-1-benzofurane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Benzofurancarboxylic acid, 5-bromo-3-[(diphenylphosphinothioyl)amino]-2,3-dihydro-, ethyl ester, (2R,3R)- [ACD/Index Name]
Ethyl (2R,3R)-5-bromo-3-[(diphenylphosphorothioyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
Ethyl-(2R,3R)-5-brom-3-[(diphenylphosphorothioyl)amino]-2,3-dihydro-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 572.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 300.2±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5001.25
ACD/KOC (pH 5.5): 15466.55
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5001.25
ACD/KOC (pH 7.4): 15466.55
Polar Surface Area: 89 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 336.5±5.0 cm3

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