ChemSpider 2D Image | 3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1(3H)-one | C20H10I4O4

3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1(3H)-one

  • Molecular FormulaC20H10I4O4
  • Average mass821.909 Da
  • Monoisotopic mass821.675720 Da
  • ChemSpider ID179651

More details:

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

1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo- [ACD/Index Name]
3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiod-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3,3-Bis(4-hydroxyphényl)-4,5,6,7-tétraiodo-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
1(3H)-ISOBENZOFURANONE,3,3-BIS(4-HYDROXYPHENYL)TETRAIODO- (9CI)
29717-26-8 [RN]
3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodoisobenzofuran-1(3H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL375228/
Phenolphthalein, tetraiodo-
Tetraiodophenolphthalein
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.831
Molar Refractivity: 139.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17796.33
ACD/KOC (pH 5.5): 38363.95
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17244.30
ACD/KOC (pH 7.4): 37173.94
Polar Surface Area: 67 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

Click to predict properties on the Chemicalize site


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