Found 73 results

Search term: MF = 'C_{6}H_{5}BrClNO_{2}S'
ChemSpider 2D Image | Ethyl 5-bromo-2-chlorothiazole-4-carboxylate | C6H5BrClNO2S

Ethyl 5-bromo-2-chlorothiazole-4-carboxylate

  • Molecular FormulaC6H5BrClNO2S
  • Average mass270.531 Da
  • Monoisotopic mass268.891266 Da
  • ChemSpider ID22803397

More details:

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

1125409-85-9 [RN]
4-Thiazolecarboxylic acid, 5-bromo-2-chloro-, ethyl ester [ACD/Index Name]
5-Bromo-2-chloro-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-2-chloro-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 5-bromo-2-chlorothiazole-4-carboxylate
Ethyl-5-brom-2-chlor-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
CS-15945
ICI-118551 HYDROCHLORIDE
MFCD16615260 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 333.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.7±3.0 kJ/mol
    Flash Point: 155.7±28.7 °C
    Index of Refraction: 1.583
    Molar Refractivity: 51.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.51
    ACD/KOC (pH 5.5): 592.88
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.51
    ACD/KOC (pH 7.4): 592.88
    Polar Surface Area: 67 Å2
    Polarizability: 20.5±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 154.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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