Found 78 results

Search term: MF = 'C_{13}H_{7}BrOS'
ChemSpider 2D Image | 3-(2-Bromo-3-thienyl)-1-phenyl-2-propyn-1-one | C13H7BrOS

3-(2-Bromo-3-thienyl)-1-phenyl-2-propyn-1-one

  • Molecular FormulaC13H7BrOS
  • Average mass291.163 Da
  • Monoisotopic mass289.940094 Da
  • ChemSpider ID95388193

More details:

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

2-Propyn-1-one, 3-(2-bromo-3-thienyl)-1-phenyl- [ACD/Index Name]
3-(2-Brom-3-thienyl)-1-phenyl-2-propin-1-on [German] [ACD/IUPAC Name]
3-(2-Bromo-3-thienyl)-1-phenyl-2-propyn-1-one [ACD/IUPAC Name]
3-(2-Bromo-3-thiényl)-1-phényl-2-propyn-1-one [French] [ACD/IUPAC 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: 392.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.4±30.7 °C
Index of Refraction: 1.682
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 978.47
ACD/KOC (pH 5.5): 4810.99
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 978.47
ACD/KOC (pH 7.4): 4810.99
Polar Surface Area: 45 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 183.1±5.0 cm3

Click to predict properties on the Chemicalize site


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