ChemSpider 2D Image | 2-Ethynyl-1-fluoro-4-nitrobenzene | C8H4FNO2

2-Ethynyl-1-fluoro-4-nitrobenzene

  • Molecular FormulaC8H4FNO2
  • Average mass165.121 Da
  • Monoisotopic mass165.022614 Da
  • ChemSpider ID24203903

More details:

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

2-Ethinyl-1-fluor-4-nitrobenzol [German] [ACD/IUPAC Name]
2-Ethynyl-1-fluoro-4-nitrobenzene [ACD/IUPAC Name]
2-ETHYNYL-1-FLUORO-4-NITRO-BENZENE
2-Éthynyl-1-fluoro-4-nitrobenzène [French] [ACD/IUPAC Name]
343866-99-9 [RN]
Benzene, 2-ethynyl-1-fluoro-4-nitro- [ACD/Index Name]
[343866-99-9] [RN]
Benzene, 2-ethynyl-1-fluoro-4-nitro- (9CI)
DS-15762
MFCD08703483 [MDL number]

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: 1.3±0.1 g/cm3
    Boiling Point: 242.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.0±3.0 kJ/mol
    Flash Point: 100.6±24.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 40.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 18.21
    ACD/KOC (pH 5.5): 277.77
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 18.21
    ACD/KOC (pH 7.4): 277.77
    Polar Surface Area: 46 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 47.8±5.0 dyne/cm
    Molar Volume: 124.6±5.0 cm3

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