Found 756 results

Search term: MF = 'C_{12}H_{10}BrNO_{2}S'
ChemSpider 2D Image | Methyl 2-(4-bromobenzyl)thiazole-4-carboxylate | C12H10BrNO2S

Methyl 2-(4-bromobenzyl)thiazole-4-carboxylate

  • Molecular FormulaC12H10BrNO2S
  • Average mass312.182 Da
  • Monoisotopic mass310.961548 Da
  • ChemSpider ID23499299

More details:

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

2-(4-Bromobenzyl)-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-(4-Bromo-benzyl)-thiazole-4-carboxylic acid methyl ester
4-Thiazolecarboxylic acid, 2-[(4-bromophenyl)methyl]-, methyl ester [ACD/Index Name]
885279-50-5 [RN]
Methyl 2-(4-bromobenzyl)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl 2-(4-bromobenzyl)thiazole-4-carboxylate
Methyl 2-[(4-bromophenyl)methyl]-4-thiazolecarboxylate
Methyl-2-(4-brombenzyl)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
MFCD06738474 [MDL number]
[885279-50-5] [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 417.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 206.0±24.6 °C
    Index of Refraction: 1.612
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.56
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 319.29
    ACD/KOC (pH 5.5): 2158.26
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 319.30
    ACD/KOC (pH 7.4): 2158.28
    Polar Surface Area: 67 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 205.6±3.0 cm3

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