ChemSpider 2D Image | 4-Bromo-5-(3-pyridinylethynyl)-2-furoic acid | C12H6BrNO3

4-Bromo-5-(3-pyridinylethynyl)-2-furoic acid

  • Molecular FormulaC12H6BrNO3
  • Average mass292.085 Da
  • Monoisotopic mass290.953094 Da
  • ChemSpider ID87202142

More details:

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

2-Furancarboxylic acid, 4-bromo-5-[2-(3-pyridinyl)ethynyl]- [ACD/Index Name]
4-Brom-5-(3-pyridinylethinyl)-2-furoesäure [German] [ACD/IUPAC Name]
4-Bromo-5-(3-pyridinylethynyl)-2-furoic acid [ACD/IUPAC Name]
Acide 4-bromo-5-(3-pyridinyléthynyl)-2-furoïque [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: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.688
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 82.1±5.0 dyne/cm
Molar Volume: 165.2±5.0 cm3

Click to predict properties on the Chemicalize site


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