ChemSpider 2D Image | (2S)-2-Amino-2-[3-nitro-5-(trifluoromethyl)phenyl]ethanol | C9H9F3N2O3

(2S)-2-Amino-2-[3-nitro-5-(trifluoromethyl)phenyl]ethanol

  • Molecular FormulaC9H9F3N2O3
  • Average mass250.175 Da
  • Monoisotopic mass250.056534 Da
  • ChemSpider ID27445960

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-2-[3-nitro-5-(trifluormethyl)phenyl]ethanol [German] [ACD/IUPAC Name]
(2S)-2-Amino-2-[3-nitro-5-(trifluoromethyl)phenyl]ethanol [ACD/IUPAC Name]
(2S)-2-Amino-2-[3-nitro-5-(trifluorométhyl)phényl]éthanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-3-nitro-5-(trifluoromethyl)-, (βS)- [ACD/Index Name]
(2S)-2-AMINO-2-[3-NITRO-5-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL
1213077-72-5 [RN]
MFCD11509854

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 331.5±42.0 °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±27.9 °C
    Index of Refraction: 1.530
    Molar Refractivity: 52.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): -1.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.52
    Polar Surface Area: 92 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 169.5±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement