ChemSpider 2D Image | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one | C15H12BrNO2

(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one

  • Molecular FormulaC15H12BrNO2
  • Average mass318.165 Da
  • Monoisotopic mass317.005127 Da
  • ChemSpider ID25911848

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Brom-4-methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(2-pyridinyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3-Bromo-4-méthoxyphényl)-1-(2-pyridinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3-bromo-4-methoxyphenyl)-1-(2-pyridinyl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.56
ACD/KOC (pH 5.5): 1926.39
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.91
ACD/KOC (pH 7.4): 1928.89
Polar Surface Area: 39 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


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