ChemSpider 2D Image | (3-Fluoro-5-methoxyphenyl)acetonitrile | C9H8FNO

(3-Fluoro-5-methoxyphenyl)acetonitrile

  • Molecular FormulaC9H8FNO
  • Average mass165.164 Da
  • Monoisotopic mass165.058990 Da
  • ChemSpider ID21469146

More details:

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

(3-Fluor-5-methoxyphenyl)acetonitril [German] [ACD/IUPAC Name]
(3-Fluoro-5-methoxyphenyl)acetonitrile [ACD/IUPAC Name]
(3-Fluoro-5-méthoxyphényl)acétonitrile [French] [ACD/IUPAC Name]
2-(3-Fluoro-5-methoxyphenyl)acetonitrile
914637-31-3 [RN]
Benzeneacetonitrile, 3-fluoro-5-methoxy- [ACD/Index Name]
[914637-31-3] [RN]
2-(3-Fluoro-5-methoxy-phenyl)acetonitrile
2-(3-fluoro-5-methoxyphenyl)ethanenitrile
3-(CYANOMETHYL)-5-FLUORO ANISOLE
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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: 1.1±0.1 g/cm3
    Boiling Point: 249.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.7±3.0 kJ/mol
    Flash Point: 104.6±23.2 °C
    Index of Refraction: 1.501
    Molar Refractivity: 42.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.47
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 11.11
    ACD/KOC (pH 5.5): 194.99
    ACD/LogD (pH 7.4): 1.68
    ACD/BCF (pH 7.4): 11.11
    ACD/KOC (pH 7.4): 194.99
    Polar Surface Area: 33 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 143.8±3.0 cm3

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