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Search term: MF = 'C_{13}H_{12}BrNO_{3}S'
ChemSpider 2D Image | Ethyl 2-bromo-4-(phenoxymethyl)thiazole-5-carboxylate | C13H12BrNO3S

Ethyl 2-bromo-4-(phenoxymethyl)thiazole-5-carboxylate

  • Molecular FormulaC13H12BrNO3S
  • Average mass342.208 Da
  • Monoisotopic mass340.972107 Da
  • ChemSpider ID30775362

More details:

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

1206907-98-3 [RN]
2-Bromo-4-(phénoxyméthyl)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-bromo-4-(phenoxymethyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-bromo-4-(phenoxymethyl)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl 2-bromo-4-(phenoxymethyl)thiazole-5-carboxylate
Ethyl-2-brom-4-(phenoxymethyl)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 445.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.4±3.0 kJ/mol
    Flash Point: 223.3±25.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 3.56
    ACD/BCF (pH 5.5): 300.96
    ACD/KOC (pH 5.5): 2068.84
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 300.96
    ACD/KOC (pH 7.4): 2068.84
    Polar Surface Area: 77 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 227.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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