ChemSpider 2D Image | Ethyl 2-bromo-5-cyanobenzoate | C10H8BrNO2

Ethyl 2-bromo-5-cyanobenzoate

  • Molecular FormulaC10H8BrNO2
  • Average mass254.080 Da
  • Monoisotopic mass252.973831 Da
  • ChemSpider ID28420395

More details:

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

1261585-44-7 [RN]
2-Bromo-5-cyanobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-5-cyano-, ethyl ester [ACD/Index Name]
Ethyl 2-bromo-5-cyanobenzoate [ACD/IUPAC Name]
Ethyl-2-brom-5-cyanbenzoat [German] [ACD/IUPAC Name]
[1261585-44-7] [RN]
2-bromo-5-cyanobenzoic acid ethyl ester
3,3-dimethyl-2,4,5a,6,7,8,9,9a-octahydrodibenzofuran-1-one
ETHYL 2-BROMO-5-CYANOBENZOATE|ETHYL 2-BROMO-5-CYANOBENZOATE
Ethyl2-bromo-5-cyanobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 321.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 148.0±23.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 54.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 83.73
    ACD/KOC (pH 5.5): 827.94
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 83.73
    ACD/KOC (pH 7.4): 827.94
    Polar Surface Area: 50 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 53.5±5.0 dyne/cm
    Molar Volume: 165.6±5.0 cm3

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