ChemSpider 2D Image | 5-(4-Carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid | C21H17NO7S

5-(4-Carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid

  • Molecular FormulaC21H17NO7S
  • Average mass427.427 Da
  • Monoisotopic mass427.072571 Da
  • ChemSpider ID31132958

More details:






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

5-(4-Carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
5-(4-Carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 5-(4-carboxyphénoxy)-2-{[(4-méthylphényl)sulfonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-(4-carboxyphenoxy)-2-[[(4-methylphenyl)sulfonyl]amino]- [ACD/Index Name]
1O1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.6±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

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