ChemSpider 2D Image | {3-[(1S)-1-Amino-2-hydroxyethyl]-5-fluoro-4-hydroxyphenyl}acetic acid | C10H12FNO4

{3-[(1S)-1-Amino-2-hydroxyethyl]-5-fluoro-4-hydroxyphenyl}acetic acid

  • Molecular FormulaC10H12FNO4
  • Average mass229.205 Da
  • Monoisotopic mass229.075043 Da
  • ChemSpider ID27468394

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{3-[(1S)-1-Amino-2-hydroxyethyl]-5-fluor-4-hydroxyphenyl}essigsäure [German] [ACD/IUPAC Name]
{3-[(1S)-1-Amino-2-hydroxyethyl]-5-fluoro-4-hydroxyphenyl}acetic acid [ACD/IUPAC Name]
Acide {3-[(1S)-1-amino-2-hydroxyéthyl]-5-fluoro-4-hydroxyphényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-4-hydroxy- [ACD/Index Name]
2-[3-((1S)-1-AMINO-2-HYDROXYETHYL)-5-FLUORO-4-HYDROXYPHENYL]ACETIC ACID
2-{3-[(1S)-1-AMINO-2-HYDROXYETHYL]-5-FLUORO-4-HYDROXYPHENYL}ACETIC ACID
MFCD11512287

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 473.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.6±3.0 kJ/mol
    Flash Point: 240.0±27.3 °C
    Index of Refraction: 1.615
    Molar Refractivity: 53.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -0.81
    ACD/LogD (pH 5.5): -2.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 71.7±3.0 dyne/cm
    Molar Volume: 154.3±3.0 cm3

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