ChemSpider 2D Image | 4-[(1S)-1-Amino-2-hydroxyethyl]-6-bromo-2-methoxy-3-nitrophenol | C9H11BrN2O5

4-[(1S)-1-Amino-2-hydroxyethyl]-6-bromo-2-methoxy-3-nitrophenol

  • Molecular FormulaC9H11BrN2O5
  • Average mass307.098 Da
  • Monoisotopic mass305.985138 Da
  • ChemSpider ID27446659

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(1S)-1-Amino-2-hydroxyethyl]-6-brom-2-methoxy-3-nitrophenol [German] [ACD/IUPAC Name]
4-[(1S)-1-Amino-2-hydroxyethyl]-6-bromo-2-methoxy-3-nitrophenol [ACD/IUPAC Name]
4-[(1S)-1-Amino-2-hydroxyéthyl]-6-bromo-2-méthoxy-3-nitrophénol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-5-bromo-4-hydroxy-3-methoxy-2-nitro-, (βS)- [ACD/Index Name]
4-((1S)-1-AMINO-2-HYDROXYETHYL)-6-BROMO-2-METHOXY-3-NITROPHENOL
MFCD09831439

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 499.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 255.7±28.7 °C
    Index of Refraction: 1.650
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): -2.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.87
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.65
    Polar Surface Area: 122 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 70.4±3.0 dyne/cm
    Molar Volume: 174.6±3.0 cm3

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