ChemSpider 2D Image | 4-[(3-Chloro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid | C12H11ClN2O5S

4-[(3-Chloro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC12H11ClN2O5S
  • Average mass330.744 Da
  • Monoisotopic mass330.007721 Da
  • ChemSpider ID23982201

More details:






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

1H-Pyrrole-2-carboxylic acid, 4-[[(3-chloro-4-methoxyphenyl)amino]sulfonyl]- [ACD/Index Name]
4-[(3-Chlor-4-methoxyphenyl)sulfamoyl]-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-[(3-Chloro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(3-chloro-4-méthoxyphényl)sulfamoyl]-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
1036518-53-2 [RN]
MFCD13361070 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 600.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.0±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 75.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.38
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 205.4±3.0 cm3

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