ChemSpider 2D Image | Ethyl (2-bromo-1,3-benzothiazol-6-yl)acetate | C11H10BrNO2S

Ethyl (2-bromo-1,3-benzothiazol-6-yl)acetate

  • Molecular FormulaC11H10BrNO2S
  • Average mass300.172 Da
  • Monoisotopic mass298.961548 Da
  • ChemSpider ID29577165

More details:

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

(2-Bromo-1,3-benzothiazol-6-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1422170-05-5 [RN]
6-Benzothiazoleacetic acid, 2-bromo-, ethyl ester [ACD/Index Name]
Ethyl (2-bromo-1,3-benzothiazol-6-yl)acetate [ACD/IUPAC Name]
ethyl 2-(2-bromo-1,3-benzothiazol-6-yl)acetate
Ethyl-(2-brom-1,3-benzothiazol-6-yl)acetat [German] [ACD/IUPAC Name]
(2-bromo-benzothiazol-6-yl)-acetic acid ethyl ester
Ethyl 2-(2-bromobenzo[d]thiazol-6-yl)acetate
MFCD24843123

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: 1.6±0.1 g/cm3
    Boiling Point: 388.2±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.6±25.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 68.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.86
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 263.96
    ACD/KOC (pH 5.5): 1883.42
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 263.96
    ACD/KOC (pH 7.4): 1883.42
    Polar Surface Area: 67 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 191.8±3.0 cm3

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