ChemSpider 2D Image | 1-(3-Bromo-4-fluorobenzyl)-3-azetidinecarboxylic acid | C11H11BrFNO2

1-(3-Bromo-4-fluorobenzyl)-3-azetidinecarboxylic acid

  • Molecular FormulaC11H11BrFNO2
  • Average mass288.113 Da
  • Monoisotopic mass286.995697 Da
  • ChemSpider ID44415241

More details:

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

1-(3-Brom-4-fluorbenzyl)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-(3-Bromo-4-fluorobenzyl)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[(3-bromo-4-fluorophenyl)methyl]- [ACD/Index Name]
Acide 1-(3-bromo-4-fluorobenzyl)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-[(3-bromo-4-fluorophenyl)methyl]azetidine-3-carboxylic acid
1340336-21-1 [RN]
MFCD20282506

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 386.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 187.3±27.9 °C
    Index of Refraction: 1.615
    Molar Refractivity: 60.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.08
    ACD/LogD (pH 7.4): -0.41
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 41 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 59.0±3.0 dyne/cm
    Molar Volume: 173.0±3.0 cm3

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