ChemSpider 2D Image | 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrole | C17H22BNO4S

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrole

  • Molecular FormulaC17H22BNO4S
  • Average mass347.237 Da
  • Monoisotopic mass347.136261 Da
  • ChemSpider ID22369618

More details:

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

1-[(4-Methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol [German] [ACD/IUPAC Name]
1-[(4-Methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole [ACD/IUPAC Name]
1-[(4-Méthylphényl)sulfonyl]-2-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole [French] [ACD/IUPAC Name]
1218790-43-2 [RN]
1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- [ACD/Index Name]
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrole
1-(4-Methylbenzene-1-sulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole
1-(p-Toluenesulfonyl)pyrrole-2-boronic acid pinacol ester
1-(P-Toluenesulfonyl)pyrrole-2-boronic acid, pinacol ester
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(p-toluenesulfonyl)-1H-pyrrole
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 497.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.4±29.3 °C
Index of Refraction: 1.553
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 66 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 296.1±7.0 cm3

Click to predict properties on the Chemicalize site


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