ChemSpider 2D Image | Ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1H-pyrazole-4-carboxylate | C14H15N3O6S

Ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H15N3O6S
  • Average mass353.350 Da
  • Monoisotopic mass353.068146 Da
  • ChemSpider ID22277604

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]sulfonyl]-, ethyl ester [ACD/Index Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1106908-56-8 [RN]
5-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid ethyl ester
ethyl 3-(N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfamoyl)-1H-pyrazole-4-carboxylate
ethyl 5-(N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfamoyl)-1H-pyrazole-4-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 591.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.4±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 248.21
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 2.67
ACD/KOC (pH 7.4): 41.37
Polar Surface Area: 128 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

Click to predict properties on the Chemicalize site


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