ChemSpider 2D Image | 3-(4-Bromo-2-fluorophenyl)propanoic acid | C9H8BrFO2

3-(4-Bromo-2-fluorophenyl)propanoic acid

  • Molecular FormulaC9H8BrFO2
  • Average mass247.061 Da
  • Monoisotopic mass245.969162 Da
  • ChemSpider ID21591313

More details:

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

134057-95-7 [RN]
3-(4-Brom-2-fluorphenyl)propansäure [German] [ACD/IUPAC Name]
3-(4-Bromo-2-fluorophenyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(4-bromo-2-fluorophényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-bromo-2-fluoro- [ACD/Index Name]
[134057-95-7] [RN]
3-(4-Bromo-2-fluorophenyl)propanoic Acid?
3-(4-bromo-2-fluorophenyl)propanoic acid???ws201086???
3-(4-Bromo-2-fluorophenyl)propanoicacid
3-(4-bromo-2-fluorophenyl)propionic acid
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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: 1.6±0.1 g/cm3
    Boiling Point: 331.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±3.0 kJ/mol
    Flash Point: 154.3±23.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 49.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 10.11
    ACD/KOC (pH 5.5): 97.63
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.53
    Polar Surface Area: 37 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 153.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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