ChemSpider 2D Image | 1-(3-Fluorobenzyl)-1H-imidazole-4-carboxylic acid | C11H9FN2O2

1-(3-Fluorobenzyl)-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC11H9FN2O2
  • Average mass220.200 Da
  • Monoisotopic mass220.064804 Da
  • ChemSpider ID35329135

More details:

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

1-(3-Fluorbenzyl)-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
1-[(3-FLUOROPHENYL)METHYL]-1H-IMIDAZOLE-4-CARBOXYLIC ACID
1439903-12-4 [RN]
1H-Imidazole-4-carboxylic acid, 1-[(3-fluorophenyl)methyl]- [ACD/Index Name]
Acide 1-(3-fluorobenzyl)-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(3-Fluoro-benzyl)-1H-imidazole-4-carboxylic acid
1-[(3-FLUOROPHENYL)METHYL]IMIDAZOLE-4-CARBOXYLIC ACID
KS-8040
MFCD26096960

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 445.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 223.1±23.2 °C
    Index of Refraction: 1.601
    Molar Refractivity: 56.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.29
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 47.5±7.0 dyne/cm
    Molar Volume: 165.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement