ChemSpider 2D Image | Methyl 1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate | C16H14N2O4S

Methyl 1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

  • Molecular FormulaC16H14N2O4S
  • Average mass330.358 Da
  • Monoisotopic mass330.067413 Da
  • ChemSpider ID23954533

More details:

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

1-[(4-Méthylphényl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester [ACD/Index Name]
952182-23-9 [RN]
Methyl 1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester
Methyl 1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Methyl 1-(toluene-4-sulfonyl)-7-azaindole-3-carboxylate
Methyl 1-(toluene-4-sulphonyl)-7-azaindole-3-carboxylate
Methyl 1-[(4-methylphenyl)sulphonyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 525.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 87.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.08
ACD/KOC (pH 5.5): 523.11
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.08
ACD/KOC (pH 7.4): 523.12
Polar Surface Area: 87 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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