ChemSpider 2D Image | 3-Ethoxy-2-fluorobenzonitrile | C9H8FNO

3-Ethoxy-2-fluorobenzonitrile

  • Molecular FormulaC9H8FNO
  • Average mass165.164 Da
  • Monoisotopic mass165.058990 Da
  • ChemSpider ID25949790

More details:

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

1033202-20-8 [RN]
3-Ethoxy-2-fluorbenzonitril [German] [ACD/IUPAC Name]
3-Ethoxy-2-fluorobenzonitrile [ACD/IUPAC Name]
3-Éthoxy-2-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-ethoxy-2-fluoro- [ACD/Index Name]
[1033202-20-8] [RN]
3-ETHOXY-2-FLUOROBENZONITRILE|3-ETHOXY-2-FLUOROBENZONITRILE
98%
MFCD10699689 [MDL number]
OT-0032

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 244.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.1±3.0 kJ/mol
    Flash Point: 101.5±23.2 °C
    Index of Refraction: 1.502
    Molar Refractivity: 42.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.94
    ACD/KOC (pH 5.5): 252.50
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.94
    ACD/KOC (pH 7.4): 252.50
    Polar Surface Area: 33 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 38.8±5.0 dyne/cm
    Molar Volume: 143.9±5.0 cm3

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