ChemSpider 2D Image | 3,3-Bis(3-bromo-4-hydroxyphenyl)-6-chloro-1H,3H-benzo[de]isochromen-1-one | C24H13Br2ClO4

3,3-Bis(3-bromo-4-hydroxyphenyl)-6-chloro-1H,3H-benzo[de]isochromen-1-one

  • Molecular FormulaC24H13Br2ClO4
  • Average mass560.619 Da
  • Monoisotopic mass557.886902 Da
  • ChemSpider ID17245561

More details:

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

1H,3H-Naphtho[1,8-cd]pyran-1-one, 3,3-bis(3-bromo-4-hydroxyphenyl)-6-chloro- [ACD/Index Name]
3,3-Bis(3-brom-4-hydroxyphenyl)-6-chlor-1H,3H-benzo[de]isochromen-1-on [German] [ACD/IUPAC Name]
3,3-Bis(3-bromo-4-hydroxyphenyl)-6-chloro-1H,3H-benzo[de]isochromen-1-one [ACD/IUPAC Name]
3,3-Bis(3-bromo-4-hydroxyphényl)-6-chloro-1H,3H-benzo[de]isochromén-1-one [French] [ACD/IUPAC Name]
6(7)-chloro-3,3-bis(3-bromo-4-hydroxyphenyl)-1H,3H-naptho[1,8-c,d]pyran-1-one

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

Density: 1.8±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 356.5±31.5 °C
Index of Refraction: 1.755
Molar Refractivity: 126.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 55542.64
ACD/KOC (pH 5.5): 86465.89
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 32957.36
ACD/KOC (pH 7.4): 51306.30
Polar Surface Area: 67 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 308.2±3.0 cm3

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