ChemSpider 2D Image | 3-Bromo-4-[(5-methyl-3-pyridinyl)ethynyl]-2,5-furandione | C12H6BrNO3

3-Bromo-4-[(5-methyl-3-pyridinyl)ethynyl]-2,5-furandione

  • Molecular FormulaC12H6BrNO3
  • Average mass292.085 Da
  • Monoisotopic mass290.953094 Da
  • ChemSpider ID86231925

More details:

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

2,5-Furandione, 3-bromo-4-[2-(5-methyl-3-pyridinyl)ethynyl]- [ACD/Index Name]
3-Brom-4-[(5-methyl-3-pyridinyl)ethinyl]-2,5-furandion [German] [ACD/IUPAC Name]
3-Bromo-4-[(5-methyl-3-pyridinyl)ethynyl]-2,5-furandione [ACD/IUPAC Name]
3-Bromo-4-[(5-méthyl-3-pyridinyl)éthynyl]-2,5-furanedione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 389.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.3±27.9 °C
Index of Refraction: 1.657
Molar Refractivity: 62.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.32
ACD/KOC (pH 5.5): 233.54
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.38
ACD/KOC (pH 7.4): 234.66
Polar Surface Area: 56 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 168.8±5.0 cm3

Click to predict properties on the Chemicalize site


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