ChemSpider 2D Image | 4-[3-(2,6-Dichlorophenoxy)-5-(methylsulfonyl)-1H-indazol-1-yl]benzoic acid | C21H14Cl2N2O5S

4-[3-(2,6-Dichlorophenoxy)-5-(methylsulfonyl)-1H-indazol-1-yl]benzoic acid

  • Molecular FormulaC21H14Cl2N2O5S
  • Average mass477.317 Da
  • Monoisotopic mass476.000061 Da
  • ChemSpider ID76726663

More details:

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

4-[3-(2,6-Dichlorophenoxy)-5-(methylsulfonyl)-1H-indazol-1-yl]benzoic acid [ACD/IUPAC Name]
4-[3-(2,6-Dichlorphenoxy)-5-(methylsulfonyl)-1H-indazol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[3-(2,6-dichlorophénoxy)-5-(méthylsulfonyl)-1H-indazol-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-(2,6-dichlorophenoxy)-5-(methylsulfonyl)-1H-indazol-1-yl]- [ACD/Index 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: 620.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.9±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 36.79
ACD/KOC (pH 5.5): 136.65
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 8.56
Polar Surface Area: 107 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 310.9±7.0 cm3

Click to predict properties on the Chemicalize site


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