ChemSpider 2D Image | (2Z)-1-(3-Bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-propen-1-one | C17H17BrO2S

(2Z)-1-(3-Bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-propen-1-one

  • Molecular FormulaC17H17BrO2S
  • Average mass365.285 Da
  • Monoisotopic mass364.013245 Da
  • ChemSpider ID30655093

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-1-(3-Brom-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-1-(3-Bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-1-(3-Bromo-2-thiényl)-3-(4-méthoxy-2,3,6-triméthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(3-bromo-2-thienyl)-3-(4-methoxy-2,3,6-trimethylphenyl)-, (2Z)- [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: 484.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.6±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2464.96
ACD/KOC (pH 5.5): 9320.80
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2464.96
ACD/KOC (pH 7.4): 9320.80
Polar Surface Area: 55 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 268.3±3.0 cm3

Click to predict properties on the Chemicalize site


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