ChemSpider 2D Image | 2',4',5',7'-Tetrabromo-5-(chloromethyl)-3',6'-bis[(1-hydroxyvinyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C25H13Br4ClO7

2',4',5',7'-Tetrabromo-5-(chloromethyl)-3',6'-bis[(1-hydroxyvinyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC25H13Br4ClO7
  • Average mass780.435 Da
  • Monoisotopic mass775.708313 Da
  • ChemSpider ID95680543

More details:

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

2',4',5',7'-Tetrabrom-5-(chlormethyl)-3',6'-bis[(1-hydroxyvinyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
2',4',5',7'-Tetrabromo-5-(chloromethyl)-3',6'-bis[(1-hydroxyvinyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
2',4',5',7'-Tétrabromo-5-(chlorométhyl)-3',6'-bis[(1-hydroxyvinyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-5-(chloromethyl)-3',6'-bis[(1-hydroxyethenyl)oxy]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 836.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.5±34.3 °C
Index of Refraction: 1.793
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 598299.81
ACD/KOC (pH 5.5): 474732.34
ACD/LogD (pH 7.4): 7.84
ACD/BCF (pH 7.4): 516387.81
ACD/KOC (pH 7.4): 409737.69
Polar Surface Area: 94 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 93.0±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

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