ChemSpider 2D Image | Ethyl 5-bromothiazole-4-carboxylate | C6H6BrNO2S

Ethyl 5-bromothiazole-4-carboxylate

  • Molecular FormulaC6H6BrNO2S
  • Average mass236.086 Da
  • Monoisotopic mass234.930252 Da
  • ChemSpider ID21402821

More details:

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

4-Thiazolecarboxylic acid, 5-bromo-, ethyl ester [ACD/Index Name]
5-Bromo-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
61830-23-7 [RN]
Ethyl 5-bromo-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-bromothiazole-4-carboxylate
Ethyl-5-brom-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
2973-27-5 [RN]
5-Bromo-4-ethoxycarbonylthiazole
5-Bromothiazole-4-carboxylic acid ethyl ester
AGN-PC-0NIQWN
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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: 2.24
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 27.05
    ACD/KOC (pH 5.5): 368.79
    ACD/LogD (pH 7.4): 2.19
    ACD/BCF (pH 7.4): 27.05
    ACD/KOC (pH 7.4): 368.79
    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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