ChemSpider 2D Image | 3-(3,4-Dichlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid | C11H9Cl2NO3

3-(3,4-Dichlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

  • Molecular FormulaC11H9Cl2NO3
  • Average mass274.100 Da
  • Monoisotopic mass272.995941 Da
  • ChemSpider ID29809931

More details:

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

3-(3,4-Dichlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
3-(3,4-Dichlorphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
5-Isoxazolecarboxylic acid, 3-(3,4-dichlorophenyl)-4,5-dihydro-5-methyl- [ACD/Index Name]
Acide 3-(3,4-dichlorophényl)-5-méthyl-4,5-dihydro-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
1326810-45-0 [RN]
3-(3,4-Dichlorophenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid
3-(3,4-dichlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
atoms 17 bonds 18
MFCD19706974

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 418.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 206.7±31.5 °C
    Index of Refraction: 1.621
    Molar Refractivity: 63.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 1.02
    ACD/BCF (pH 5.5): 1.26
    ACD/KOC (pH 5.5): 12.23
    ACD/LogD (pH 7.4): -0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 59 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 50.8±7.0 dyne/cm
    Molar Volume: 181.6±7.0 cm3

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