ChemSpider 2D Image | Ethyl 2-(3-methyl-4-nitrophenyl)-4-thiazolecarboxylate | C13H12N2O4S

Ethyl 2-(3-methyl-4-nitrophenyl)-4-thiazolecarboxylate

  • Molecular FormulaC13H12N2O4S
  • Average mass292.310 Da
  • Monoisotopic mass292.051788 Da
  • ChemSpider ID23499322

More details:

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

2-(3-Méthyl-4-nitrophényl)-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-(3-Methyl-4-nitro-phenyl)-thiazole-4-carboxylic acid ethyl ester
4-Thiazolecarboxylic acid, 2-(3-methyl-4-nitrophenyl)-, ethyl ester [ACD/Index Name]
885278-57-9 [RN]
Ethyl 2-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 2-(3-methyl-4-nitrophenyl)-4-thiazolecarboxylate
Ethyl 2-(3-methyl-4-nitrophenyl)thiazole-4-carboxylate
Ethyl-2-(3-methyl-4-nitrophenyl)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
[885278-57-9] [RN]
2-(3-methyl-4-nitrophenyl)-thiazole-4-carboxylic acid ethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.6±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 75.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 228.32
    ACD/KOC (pH 5.5): 1697.67
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 228.32
    ACD/KOC (pH 7.4): 1697.67
    Polar Surface Area: 113 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 219.9±3.0 cm3

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