ChemSpider 2D Image | 1-Nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tetrafluorocyclohexyl]benzene | C12H11F4NO2

1-Nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tetrafluorocyclohexyl]benzene

  • Molecular FormulaC12H11F4NO2
  • Average mass277.215 Da
  • Monoisotopic mass277.072601 Da
  • ChemSpider ID73991090

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tetrafluorcyclohexyl]benzol [German] [ACD/IUPAC Name]
1-Nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tetrafluorocyclohexyl]benzene [ACD/IUPAC Name]
1-Nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tétrafluorocyclohexyl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-nitro-3-[(2R,3S,5R,6S)-2,3,5,6-tetrafluorocyclohexyl]- [ACD/Index Name]
1609663-40-2 [RN]
Benzene, 1-nitro-3-[(2S,3R,5S,6R)-2,3,5,6-tetrafluorocyclohexyl]-, rel-

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 337.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 157.7±27.9 °C
    Index of Refraction: 1.486
    Molar Refractivity: 58.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.71
    ACD/KOC (pH 5.5): 578.28
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.71
    ACD/KOC (pH 7.4): 578.28
    Polar Surface Area: 46 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 34.7±5.0 dyne/cm
    Molar Volume: 205.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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