ChemSpider 2D Image | (3E)-6-Bromo-3-(3-bromo-4-hydroxy-5-methoxybenzylidene)-2,3-dihydro-4H-chromen-4-one | C17H12Br2O4

(3E)-6-Bromo-3-(3-bromo-4-hydroxy-5-methoxybenzylidene)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC17H12Br2O4
  • Average mass440.083 Da
  • Monoisotopic mass437.910217 Da
  • ChemSpider ID22876973

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-6-Brom-3-(3-brom-4-hydroxy-5-methoxybenzyliden)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3E)-6-Bromo-3-(3-bromo-4-hydroxy-5-methoxybenzylidene)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3E)-6-Bromo-3-(3-bromo-4-hydroxy-5-méthoxybenzylidène)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 6-bromo-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylene]-2,3-dihydro-, (3E)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3323.20
ACD/KOC (pH 5.5): 11520.58
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2160.26
ACD/KOC (pH 7.4): 7489.00
Polar Surface Area: 56 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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