ChemSpider 2D Image | 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(iodoacetyl)amino]benzoic acid | C22H14INO6

2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(iodoacetyl)amino]benzoic acid

  • Molecular FormulaC22H14INO6
  • Average mass515.254 Da
  • Monoisotopic mass514.986572 Da
  • ChemSpider ID2532857

More details:

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

2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(iodacetyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(iodoacetyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 2-(6-hydroxy-3-oxo-3H-xanthén-9-yl)-5-[(2-iodoacétyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(2-iodoacetyl)amino]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 813.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 446.0±34.3 °C
Index of Refraction: 1.781
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 21.82
ACD/KOC (pH 5.5): 126.87
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.79
Polar Surface Area: 113 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 89.3±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

Click to predict properties on the Chemicalize site


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