ChemSpider 2D Image | Ethyl 5-{[(5-bromo-1-benzofuran-2-yl)carbonyl]amino}-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate | C21H15BrClN3O4

Ethyl 5-{[(5-bromo-1-benzofuran-2-yl)carbonyl]amino}-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC21H15BrClN3O4
  • Average mass488.719 Da
  • Monoisotopic mass486.993439 Da
  • ChemSpider ID67763913

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(5-bromo-2-benzofuranyl)carbonyl]amino]-1-(3-chlorophenyl)-, ethyl ester [ACD/Index Name]
5-{[(5-Bromo-1-benzofuran-2-yl)carbonyl]amino}-1-(3-chlorophényl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[(5-bromo-1-benzofuran-2-yl)carbonyl]amino}-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[(5-brom-1-benzofuran-2-yl)carbonyl]amino}-1-(3-chlorphenyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 551.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.4±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12191.84
ACD/KOC (pH 5.5): 29268.22
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12189.08
ACD/KOC (pH 7.4): 29261.60
Polar Surface Area: 86 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

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