ChemSpider 2D Image | Ethyl 2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate | C10H12BrNO2S

Ethyl 2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate

  • Molecular FormulaC10H12BrNO2S
  • Average mass290.177 Da
  • Monoisotopic mass288.977203 Da
  • ChemSpider ID29339921

More details:

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

2-Bromo-4,5,6,7-tétrahydro-1,3-benzothiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Benzothiazolecarboxylic acid, 2-bromo-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
729590-69-6 [RN]
Ethyl 2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl 2-bromo-4,5,6,7-tetrahydrobenzo[d]thiazole-4-carboxylate
Ethyl-2-brom-4,5,6,7-tetrahydro-1,3-benzothiazol-4-carboxylat [German] [ACD/IUPAC Name]
2-bromo-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester
MFCD22565626 [MDL number]

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: 356.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 169.6±24.6 °C
    Index of Refraction: 1.578
    Molar Refractivity: 62.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 167.56
    ACD/KOC (pH 5.5): 1360.42
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 167.57
    ACD/KOC (pH 7.4): 1360.46
    Polar Surface Area: 67 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 189.3±3.0 cm3

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