ChemSpider 2D Image | (2S)-2-Amino-2-(4-bromo-2-nitrophenyl)ethanol | C8H9BrN2O3

(2S)-2-Amino-2-(4-bromo-2-nitrophenyl)ethanol

  • Molecular FormulaC8H9BrN2O3
  • Average mass261.073 Da
  • Monoisotopic mass259.979645 Da
  • ChemSpider ID27446176

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-2-(4-brom-2-nitrophenyl)ethanol [German] [ACD/IUPAC Name]
(2S)-2-Amino-2-(4-bromo-2-nitrophenyl)ethanol [ACD/IUPAC Name]
(2S)-2-Amino-2-(4-bromo-2-nitrophényl)éthanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-4-bromo-2-nitro-, (βS)- [ACD/Index Name]
(2S)-2-AMINO-2-(4-BROMO-2-NITROPHENYL)ETHAN-1-OL
1213327-68-4 [RN]
MFCD14567372

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 433.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.6±3.0 kJ/mol
    Flash Point: 215.8±27.3 °C
    Index of Refraction: 1.644
    Molar Refractivity: 55.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): -1.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.46
    Polar Surface Area: 92 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 152.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement