ChemSpider 2D Image | METHYL 5-(2-THIAZOLYL)ISOXAZOLE-3-CARBOXYLATE | C8H6N2O3S

METHYL 5-(2-THIAZOLYL)ISOXAZOLE-3-CARBOXYLATE

  • Molecular FormulaC8H6N2O3S
  • Average mass210.210 Da
  • Monoisotopic mass210.009918 Da
  • ChemSpider ID28553680

More details:

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

1375064-47-3 [RN]
3-Isoxazolecarboxylic acid, 5-(2-thiazolyl)-, methyl ester [ACD/Index Name]
5-(1,3-Thiazol-2-yl)-1,2-oxazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
METHYL 5-(2-THIAZOLYL)ISOXAZOLE-3-CARBOXYLATE
Methyl-5-(1,3-thiazol-2-yl)-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
[1375064-47-3] [RN]
1820-80-0 [RN]
95%
Methyl5-(2-Thiazolyl)isoxazole-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 401.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.7±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 49.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.15
    ACD/LogD (pH 5.5): 1.22
    ACD/BCF (pH 5.5): 4.99
    ACD/KOC (pH 5.5): 109.91
    ACD/LogD (pH 7.4): 1.22
    ACD/BCF (pH 7.4): 4.99
    ACD/KOC (pH 7.4): 109.91
    Polar Surface Area: 93 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 151.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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