ChemSpider 2D Image | Methyl (2R,3S)-5-bromo-2-{4-[(triisopropylsilyl)oxy]phenyl}-2,3-dihydro-1-benzofuran-3-carboxylate | C25H33BrO4Si

Methyl (2R,3S)-5-bromo-2-{4-[(triisopropylsilyl)oxy]phenyl}-2,3-dihydro-1-benzofuran-3-carboxylate

  • Molecular FormulaC25H33BrO4Si
  • Average mass505.517 Da
  • Monoisotopic mass504.133148 Da
  • ChemSpider ID30658962

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-5-Bromo-2-{4-[(triisopropylsilyl)oxy]phényl}-2,3-dihydro-1-benzofurane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 5-bromo-2,3-dihydro-2-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-, methyl ester, (2R,3S)- [ACD/Index Name]
Methyl (2R,3S)-5-bromo-2-{4-[(triisopropylsilyl)oxy]phenyl}-2,3-dihydro-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3S)-5-brom-2-{4-[(triisopropylsilyl)oxy]phenyl}-2,3-dihydro-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 481.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.0±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2989.19
ACD/KOC (pH 5.5): 10700.31
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2989.19
ACD/KOC (pH 7.4): 10700.31
Polar Surface Area: 45 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

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