ChemSpider 2D Image | Ethyl 3-bromo-4-fluorobenzoate | C9H8BrFO2

Ethyl 3-bromo-4-fluorobenzoate

  • Molecular FormulaC9H8BrFO2
  • Average mass247.061 Da
  • Monoisotopic mass245.969162 Da
  • ChemSpider ID21469368

More details:

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

2259710 [Beilstein]
23233-33-2 [RN]
3-Bromo-4-fluorobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-fluoro-, ethyl ester [ACD/Index Name]
Ethyl 3-bromo-4-fluorobenzoate [ACD/IUPAC Name]
Ethyl-3-brom-4-fluorbenzoat [German] [ACD/IUPAC Name]
FR BE DVO2 [WLN]
(S)-5,7-Difluoro-2,3-dihydrobenzofuran-3-amine
[23233-33-2] [RN]
3-bromo-4-fluorobenzoic acid ethyl ester
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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: 262.6±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.0±3.0 kJ/mol
    Flash Point: 112.6±21.8 °C
    Index of Refraction: 1.525
    Molar Refractivity: 50.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 202.53
    ACD/KOC (pH 5.5): 1558.08
    ACD/LogD (pH 7.4): 3.34
    ACD/BCF (pH 7.4): 202.53
    ACD/KOC (pH 7.4): 1558.08
    Polar Surface Area: 26 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 164.2±3.0 cm3

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