ChemSpider 2D Image | (2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)-2-propen-1-one | C16H11BrO3

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)-2-propen-1-one

  • Molecular FormulaC16H11BrO3
  • Average mass331.161 Da
  • Monoisotopic mass329.989136 Da
  • ChemSpider ID30655097

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-bromphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 462.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.5±28.7 °C
Index of Refraction: 1.668
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 503.92
ACD/KOC (pH 5.5): 2991.95
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 503.92
ACD/KOC (pH 7.4): 2991.95
Polar Surface Area: 36 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 217.2±3.0 cm3

Click to predict properties on the Chemicalize site


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