ChemSpider 2D Image | 2-[(1R)-1-Amino-2-hydroxyethyl]-5-iodobenzoic acid | C9H10INO3

2-[(1R)-1-Amino-2-hydroxyethyl]-5-iodobenzoic acid

  • Molecular FormulaC9H10INO3
  • Average mass307.085 Da
  • Monoisotopic mass306.970520 Da
  • ChemSpider ID27446654

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-Amino-2-hydroxyethyl]-5-iodbenzoesäure [German] [ACD/IUPAC Name]
2-[(1R)-1-Amino-2-hydroxyethyl]-5-iodobenzoic acid [ACD/IUPAC Name]
Acide 2-[(1R)-1-amino-2-hydroxyéthyl]-5-iodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1R)-1-amino-2-hydroxyethyl]-5-iodo- [ACD/Index Name]
2-((1R)-1-AMINO-2-HYDROXYETHYL)-5-IODOBENZOIC ACID
MFCD09256363

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.9±0.1 g/cm3
    Boiling Point: 487.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 248.9±28.7 °C
    Index of Refraction: 1.690
    Molar Refractivity: 60.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.30
    ACD/LogD (pH 5.5): -1.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 74.2±3.0 dyne/cm
    Molar Volume: 158.8±3.0 cm3

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