ChemSpider 2D Image | Ethyl 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate | C12H12FN3O4S

Ethyl 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC12H12FN3O4S
  • Average mass313.305 Da
  • Monoisotopic mass313.053253 Da
  • ChemSpider ID29033107

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(3-fluorophenyl)amino]sulfonyl]-, ethyl ester [ACD/Index Name]
5-[(3-Fluorophényl)sulfamoyl]-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(3-fluorphenyl)sulfamoyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 526.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.09
ACD/KOC (pH 5.5): 329.09
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 2.86
ACD/KOC (pH 7.4): 39.08
Polar Surface Area: 110 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

Click to predict properties on the Chemicalize site


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