ChemSpider 2D Image | Ethyl 4-bromo-1,3-thiazole-5-carboxylate | C6H6BrNO2S

Ethyl 4-bromo-1,3-thiazole-5-carboxylate

  • Molecular FormulaC6H6BrNO2S
  • Average mass236.086 Da
  • Monoisotopic mass234.930252 Da
  • ChemSpider ID14314143

More details:

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

152300-60-2 [RN]
4-Bromo-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-bromo-, ethyl ester [ACD/Index Name]
Ethyl 4-bromo-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-brom-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
[152300-60-2] [RN]
190071-24-0 [RN]
4-Bromo-5-thiazolecarboxylic acid ethyl ester
4-Bromo-thiazole-5-carboxylic acid ethyl ester
5-Thiazolecarboxylic acid, 4-bromo-, ethyl ester (9CI)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 289.1±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.7±21.8 °C
    Index of Refraction: 1.570
    Molar Refractivity: 46.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 14.26
    ACD/KOC (pH 5.5): 233.20
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 14.26
    ACD/KOC (pH 7.4): 233.20
    Polar Surface Area: 67 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 50.1±3.0 dyne/cm
    Molar Volume: 142.7±3.0 cm3

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