ChemSpider 2D Image | Ethyl 3-amino-4-bromo-1-benzothiophene-2-carboxylate | C11H10BrNO2S

Ethyl 3-amino-4-bromo-1-benzothiophene-2-carboxylate

  • Molecular FormulaC11H10BrNO2S
  • Average mass300.172 Da
  • Monoisotopic mass298.961548 Da
  • ChemSpider ID26231805

More details:

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

1227954-68-8 [RN]
3-Amino-4-bromo-1-benzothiophène-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-amino-4-bromo-, ethyl ester [ACD/Index Name]
Ethyl 3-amino-4-bromo-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Ethyl 3-amino-4-bromobenzo[b]thiophene-2-carboxylate
Ethyl-3-amino-4-brom-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
MFCD11615812 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 423.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 209.7±27.3 °C
    Index of Refraction: 1.687
    Molar Refractivity: 70.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.33
    ACD/LogD (pH 5.5): 4.13
    ACD/BCF (pH 5.5): 807.03
    ACD/KOC (pH 5.5): 4191.32
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 807.03
    ACD/KOC (pH 7.4): 4191.33
    Polar Surface Area: 81 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 59.0±3.0 dyne/cm
    Molar Volume: 185.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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