Found 894 results

Search term: MF = 'C_{11}H_{9}F_{2}N_{3}O_{2}'
ChemSpider 2D Image | 1-(3,4-Difluorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid | C11H9F2N3O2

1-(3,4-Difluorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC11H9F2N3O2
  • Average mass253.205 Da
  • Monoisotopic mass253.066284 Da
  • ChemSpider ID25669664

More details:

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

1-(3,4-Difluorophenyl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-(3,4-Difluorphenyl)-5-ethyl-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1096980-54-9 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(3,4-difluorophenyl)-5-ethyl- [ACD/Index Name]
Acide 1-(3,4-difluorophényl)-5-éthyl-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(3,4-Difluoro-phenyl)-5-ethyl-1H-[1,2,3]triazole-4-carboxylic acid
1-(3,4-difluorophenyl)-5-ethyltriazole-4-carboxylic acid
AGN-PC-06KB07
AKOS005739952
MCULE-2315027773
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 420.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 208.1±31.5 °C
    Index of Refraction: 1.606
    Molar Refractivity: 59.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.48
    ACD/LogD (pH 5.5): 0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.29
    ACD/LogD (pH 7.4): -0.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 45.3±7.0 dyne/cm
    Molar Volume: 172.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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