Found 78 results

Search term: MF = 'C_{13}H_{7}BrOS'
ChemSpider 2D Image | 3-[(5-Bromo-2-thienyl)ethynyl]benzaldehyde | C13H7BrOS

3-[(5-Bromo-2-thienyl)ethynyl]benzaldehyde

  • Molecular FormulaC13H7BrOS
  • Average mass291.163 Da
  • Monoisotopic mass289.940094 Da
  • ChemSpider ID110474885

More details:

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

3-[(5-Brom-2-thienyl)ethinyl]benzaldehyd [German] [ACD/IUPAC Name]
3-[(5-Bromo-2-thienyl)ethynyl]benzaldehyde [ACD/IUPAC Name]
3-[(5-Bromo-2-thiényl)éthynyl]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[2-(5-bromo-2-thienyl)ethynyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 422.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 209.3±27.3 °C
Index of Refraction: 1.686
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1108.14
ACD/KOC (pH 5.5): 5259.21
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1108.14
ACD/KOC (pH 7.4): 5259.21
Polar Surface Area: 45 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 182.8±5.0 cm3

Click to predict properties on the Chemicalize site


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