ChemSpider 2D Image | 3-Amino-3-(3,5-dibromo-2-hydroxyphenyl)propanoic acid | C9H9Br2NO3

3-Amino-3-(3,5-dibromo-2-hydroxyphenyl)propanoic acid

  • Molecular FormulaC9H9Br2NO3
  • Average mass338.981 Da
  • Monoisotopic mass336.894897 Da
  • ChemSpider ID26283403

More details:

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

3-Amino-3-(3,5-dibrom-2-hydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-Amino-3-(3,5-dibromo-2-hydroxyphenyl)propanoic acid [ACD/IUPAC Name]
3-AMINO-3-(3,5-DIBROMO-2-HYDROXY-PHENYL)-PROPIONIC ACID
773122-02-4 [RN]
Acide 3-amino-3-(3,5-dibromo-2-hydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-3,5-dibromo-2-hydroxy- [ACD/Index Name]
BENZENEPROPANOIC ACID, B-AMINO-3,5-DIBROMO-2-HYDROXY-
MFCD06205905

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 432.7±45.0 °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: 215.5±28.7 °C
    Index of Refraction: 1.668
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -0.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 70.8±3.0 dyne/cm
    Molar Volume: 168.6±3.0 cm3

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