ChemSpider 2D Image | 3-(7-Bromo-4-oxo-4H-chromen-3-yl)-2-propynamide | C12H6BrNO3

3-(7-Bromo-4-oxo-4H-chromen-3-yl)-2-propynamide

  • Molecular FormulaC12H6BrNO3
  • Average mass292.085 Da
  • Monoisotopic mass290.953094 Da
  • ChemSpider ID86255291

More details:

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

2-Propynamide, 3-(7-bromo-4-oxo-4H-1-benzopyran-3-yl)- [ACD/Index Name]
3-(7-Brom-4-oxo-4H-chromen-3-yl)-2-propinamid [German] [ACD/IUPAC Name]
3-(7-Bromo-4-oxo-4H-chromen-3-yl)-2-propynamide [ACD/IUPAC Name]
3-(7-Bromo-4-oxo-4H-chromén-3-yl)-2-propynamide [French] [ACD/IUPAC 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: 430.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.1±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.96
ACD/KOC (pH 5.5): 275.04
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.96
ACD/KOC (pH 7.4): 275.04
Polar Surface Area: 69 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 163.0±5.0 cm3

Click to predict properties on the Chemicalize site


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