ChemSpider 2D Image | 2-(4-Sulfamoylphenoxy)ethyl 4-chloro-1H-pyrrole-2-carboxylate | C13H13ClN2O5S

2-(4-Sulfamoylphenoxy)ethyl 4-chloro-1H-pyrrole-2-carboxylate

  • Molecular FormulaC13H13ClN2O5S
  • Average mass344.771 Da
  • Monoisotopic mass344.023376 Da
  • ChemSpider ID22477209

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-chloro-, 2-[4-(aminosulfonyl)phenoxy]ethyl ester [ACD/Index Name]
2-(4-Sulfamoylphenoxy)ethyl 4-chloro-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
2-(4-Sulfamoylphenoxy)ethyl-4-chlor-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
4-Chloro-1H-pyrrole-2-carboxylate de 2-(4-sulfamoylphénoxy)éthyle [French] [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: 606.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.5±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 80.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.62
ACD/KOC (pH 5.5): 248.92
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.60
ACD/KOC (pH 7.4): 248.52
Polar Surface Area: 120 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement