ChemSpider 2D Image | 5-Fluoro-2-(4-methyl-1-piperazinyl)benzoic acid | C12H15FN2O2

5-Fluoro-2-(4-methyl-1-piperazinyl)benzoic acid

  • Molecular FormulaC12H15FN2O2
  • Average mass238.258 Da
  • Monoisotopic mass238.111755 Da
  • ChemSpider ID24605544

More details:

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

1096829-46-7 [RN]
5-Fluor-2-(4-methyl-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
5-Fluoro-2-(4-methyl-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
5-fluoro-2-(4-methylpiperazin-1-yl)benzoic acid
Acide 5-fluoro-2-(4-méthyl-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-fluoro-2-(4-methyl-1-piperazinyl)- [ACD/Index Name]
[1096829-46-7] [RN]
5-Fluoro-2-(4-methyl-1-piperazinyl)benzoicAcid
5-Fluoro-2-(4-methylpiperazin-1-yl)benzoicAcid
5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 384.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±3.0 kJ/mol
    Flash Point: 186.4±27.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 61.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): -0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 44 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 189.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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