ChemSpider 2D Image | (2E)-3-(4-Bromo-3-fluorophenyl)acrylic acid | C9H6BrFO2

(2E)-3-(4-Bromo-3-fluorophenyl)acrylic acid

  • Molecular FormulaC9H6BrFO2
  • Average mass245.045 Da
  • Monoisotopic mass243.953506 Da
  • ChemSpider ID23347377

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-Brom-3-fluorphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(4-Bromo-3-fluorophenyl)acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-bromo-3-fluorophenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(4-bromo-3-fluorophényl)acrylique [French] [ACD/IUPAC Name]
(2E)-3-(4-BROMO-3-FLUOROPHENYL)PROP-2-ENOIC ACID
[923266-17-5] [RN]
3-(4-BROMO-3-FLUORO-PHENYL)-ACRYLIC ACID
3-(4-Bromo-3-fluorophenyl)acrylicacid
3-(4-Bromo-3-fluorophenyl)prop-2-enoic acid
4-Bromo-3-fluorocinnamic acid
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 338.2±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.4±3.0 kJ/mol
    Flash Point: 158.3±23.7 °C
    Index of Refraction: 1.625
    Molar Refractivity: 51.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.34
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 2.50
    ACD/KOC (pH 5.5): 28.08
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 145.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement