ChemSpider 2D Image | 4-Ethynyl-2-fluorobenzoic acid | C9H5FO2

4-Ethynyl-2-fluorobenzoic acid

  • Molecular FormulaC9H5FO2
  • Average mass164.133 Da
  • Monoisotopic mass164.027359 Da
  • ChemSpider ID24204515

More details:

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

4-Ethinyl-2-fluorbenzoesäure [German] [ACD/IUPAC Name]
4-Ethynyl-2-fluorobenzoic acid [ACD/IUPAC Name]
Acide 4-éthynyl-2-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-ethynyl-2-fluoro- [ACD/Index Name]
736117-41-2 [RN]
Benzoic acid, 4-ethynyl-2-fluoro- (9CI)
DS-20241
MFCD18826154

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 273.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.1±3.0 kJ/mol
    Flash Point: 119.1±24.6 °C
    Index of Refraction: 1.566
    Molar Refractivity: 40.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.29
    ACD/LogD (pH 7.4): -1.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 123.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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