ChemSpider 2D Image | 4,5,6,7-Tetrachloro-3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C20H8Cl4O7

4,5,6,7-Tetrachloro-3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC20H8Cl4O7
  • Average mass502.085 Da
  • Monoisotopic mass499.902405 Da
  • ChemSpider ID359195

More details:

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

4,5,6,7-Tetrachlor-3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
4,5,6,7-Tetrachloro-3',4',5',6'-tetrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
4,5,6,7-Tétrachloro-3',4',5',6'-tétrahydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',4',5',6'-tetrahydroxy- [ACD/Index Name]
4,5,6,7-tetrachloro-3',4',5',6'-tetrahydroxy-spiro[phthalan-3,9'-xanthene]-1-one
9-(6-carboxy-2',3',4',5'-tetrachloro-phenyl)-3,4,5,6-tetrahydroxy-xanthylium

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

NSC723402 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 813.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 445.8±34.3 °C
Index of Refraction: 1.863
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 549.98
ACD/KOC (pH 5.5): 3182.41
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 438.35
ACD/KOC (pH 7.4): 2536.46
Polar Surface Area: 116 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 125.8±5.0 dyne/cm
Molar Volume: 244.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement