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

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

  • Molecular FormulaC9H6BrFO2
  • Average mass245.045 Da
  • Monoisotopic mass243.953506 Da
  • ChemSpider ID23347375

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Brom-2-fluorphenyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(3-Bromo-2-fluorophenyl)acrylic acid [ACD/IUPAC Name]
1214791-57-7 [RN]
2-Propenoic acid, 3-(3-bromo-2-fluorophenyl)-, (2E)- [ACD/Index Name]
Acide (2E)-3-(3-bromo-2-fluorophényl)acrylique [French] [ACD/IUPAC Name]
(2E)-3-(3-BROMO-2-FLUOROPHENYL)PROP-2-ENOIC ACID
(e)-3-(3-bromo-2-fluorophenyl)acrylic acid
[1214791-57-7] [RN]
1852540-30-7 [RN]
3-(3-bromo-2-fluorophenyl)acrylicacid
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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: 337.4±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.3±3.0 kJ/mol
    Flash Point: 157.9±25.1 °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: 3.21
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 2.12
    ACD/KOC (pH 5.5): 24.11
    ACD/LogD (pH 7.4): -0.59
    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


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