ChemSpider 2D Image | Ethyl 4-(5-isopropyl-1,2,4-oxadiazol-3-yl)benzoate | C14H16N2O3

Ethyl 4-(5-isopropyl-1,2,4-oxadiazol-3-yl)benzoate

  • Molecular FormulaC14H16N2O3
  • Average mass260.288 Da
  • Monoisotopic mass260.116089 Da
  • ChemSpider ID24605470

More details:

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

1166756-84-8 [RN]
4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(5-isopropyl-1,2,4-oxadiazol-3-yl)benzoate [ACD/IUPAC Name]
Ethyl-4-(5-isopropyl-1,2,4-oxadiazol-3-yl)benzoat [German] [ACD/IUPAC Name]
[1166756-84-8] [RN]
4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]Benzoic acid ethyl ester
Ethyl 4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
Ethyl4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoate
ETHYL-4-(5-ISOPROPYL-1,2,4-OXADIAZOL-3-YL)BENZOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 388.8±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 188.9±28.4 °C
    Index of Refraction: 1.524
    Molar Refractivity: 69.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.10
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 196.53
    ACD/KOC (pH 5.5): 1524.92
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 196.53
    ACD/KOC (pH 7.4): 1524.92
    Polar Surface Area: 65 Å2
    Polarizability: 27.7±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 228.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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