ChemSpider 2D Image | 3-(5-Bromo-3-thienyl)-1-(3-pyridinyl)-2-propen-1-one | C12H8BrNOS

3-(5-Bromo-3-thienyl)-1-(3-pyridinyl)-2-propen-1-one

  • Molecular FormulaC12H8BrNOS
  • Average mass294.167 Da
  • Monoisotopic mass292.950989 Da
  • ChemSpider ID35441435

More details:

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

2-Propen-1-one, 3-(5-bromo-3-thienyl)-1-(3-pyridinyl)- [ACD/Index Name]
3-(5-Brom-3-thienyl)-1-(3-pyridinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
3-(5-Bromo-3-thienyl)-1-(3-pyridinyl)-2-propen-1-one [ACD/IUPAC Name]
3-(5-Bromo-3-thiényl)-1-(3-pyridinyl)-2-propén-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: 424.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.3±28.7 °C
Index of Refraction: 1.680
Molar Refractivity: 71.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.45
ACD/KOC (pH 5.5): 1288.24
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.88
ACD/KOC (pH 7.4): 1291.80
Polar Surface Area: 58 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 188.7±3.0 cm3

Click to predict properties on the Chemicalize site


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