ChemSpider 2D Image | (2E)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorophenyl)acrylic acid | C16H11FO4

(2E)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorophenyl)acrylic acid

  • Molecular FormulaC16H11FO4
  • Average mass286.254 Da
  • Monoisotopic mass286.064148 Da
  • ChemSpider ID21178601

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorophenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(1,3-Benzodioxol-4-yl)-2-(4-fluorphenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-3-(1,3-benzodioxol-4-yl)-2-(4-fluorophényl)acrylique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(1,3-benzodioxol-4-ylmethylene)-4-fluoro-, (αE)- [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: 398.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.8±24.6 °C
Index of Refraction: 1.659
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.82
ACD/KOC (pH 5.5): 21.13
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 202.5±3.0 cm3

Click to predict properties on the Chemicalize site


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