ChemSpider 2D Image | Ethyl 2-(3-bromobenzyl)thiazole-4-carboxylate | C13H12BrNO2S

Ethyl 2-(3-bromobenzyl)thiazole-4-carboxylate

  • Molecular FormulaC13H12BrNO2S
  • Average mass326.209 Da
  • Monoisotopic mass324.977203 Da
  • ChemSpider ID24582145

More details:

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

2-(3-Bromobenzyl)-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[(3-bromophenyl)methyl]-, ethyl ester [ACD/Index Name]
954241-25-9 [RN]
Ethyl 2-(3-bromobenzyl)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 2-(3-bromobenzyl)thiazole-4-carboxylate
Ethyl 2-[(3-bromophenyl)methyl]-4-thiazolecarboxylate
Ethyl-2-(3-brombenzyl)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
[954241-25-9] [RN]
2-(3-Bromobenzyl)thiazol-4-carboxylic acid ethyl ester
2-(3-Bromo-benzyl)-thiazole-4-carboxylic acid ethyl ester
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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: 1.5±0.1 g/cm3
    Boiling Point: 427.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.4±24.6 °C
    Index of Refraction: 1.601
    Molar Refractivity: 76.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 537.52
    ACD/KOC (pH 5.5): 3133.41
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 537.53
    ACD/KOC (pH 7.4): 3133.46
    Polar Surface Area: 67 Å2
    Polarizability: 30.2±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 222.1±3.0 cm3

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