ChemSpider 2D Image | 3',6'-Dihydroxy-4',5'-diiodo-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C21H9I2NO5S

3',6'-Dihydroxy-4',5'-diiodo-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC21H9I2NO5S
  • Average mass641.174 Da
  • Monoisotopic mass640.829041 Da
  • ChemSpider ID115952

More details:

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

3',6'-Dihydroxy-4',5'-diiod-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
3',6'-Dihydroxy-4',5'-diiodo-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
3',6'-Dihydroxy-4',5'-diiodo-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 3',6'-dihydroxy-4',5'-diiodo-5-isothiocyanato-
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-4',5'-diiodo-5-isothiocyanato- [ACD/Index Name]
3',6'-DIHYDROXY-4',5'-DIIODO-5-ISOTHIOCYANATO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONE
3',6'-DIHYDROXY-4',5'-DIIODO-5-ISOTHIOCYANATOSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONE
76391-89-4 [RN]
Diiodofluorescein isothiocyanate
SPIRO(ISOBENZOFURAN-1(3H),9-(9H)XANTHEN)-3-ONE,3,6-DIHYDROXY-4,5-DIIODO-5-ISOTHIOCYANATO-

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

Density: 2.2±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 372.4±31.5 °C
Index of Refraction: 1.851
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50131.14
ACD/KOC (pH 5.5): 80479.35
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 43485.00
ACD/KOC (pH 7.4): 69809.80
Polar Surface Area: 120 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 286.7±7.0 cm3

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