ChemSpider 2D Image | 2',7'-Dichloro-4',5'-bis[(diethylamino)methyl]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C30H32Cl2N2O5

2',7'-Dichloro-4',5'-bis[(diethylamino)methyl]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC30H32Cl2N2O5
  • Average mass571.492 Da
  • Monoisotopic mass570.168823 Da
  • ChemSpider ID30660173

More details:

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

2',7'-Dichlor-4',5'-bis[(diethylamino)methyl]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
2',7'-Dichloro-4',5'-bis[(diethylamino)methyl]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
2',7'-Dichloro-4',5'-bis[(diéthylamino)méthyl]-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',7'-dichloro-4',5'-bis[(diethylamino)methyl]-3',6'-dihydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 3.55
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 18.40
ACD/KOC (pH 7.4): 37.81
Polar Surface Area: 82 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

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