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Molecular_Structure:
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['1. Molar refractive index 10033 ', '2. Molar volume 335 ', '3. Parachor （902K）8125 ', '4. Surface tension 346 ', '5. Dielectric constant N/A ', '6. Polarizability 3977 ', '7. Single isotope mass 408129692 Da ', '8. Nominal mass 408 Da ', '9. Average mass 4083711 Da']
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LogP:
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5.11
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Flash_Point:
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238.3±31.5 °C
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Refractive_Index:
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1.511
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FW:
|
408.371
|
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Density:
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1.2±0.1 g/cm3
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Bolling_Point:
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470.3±55.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1 . XlogP 49 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 9 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count ', '6 . TPSA 695 ', '7 . Heavy Atom Count 29 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 607 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 2 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
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PSA:
|
69.15000
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MF:
|
C20H19F3N2O4
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|
More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL,20℃）1360 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>70 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 45 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water ']
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Vapor_Pressure:
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0.0±1.2 mmHg at 25°C
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|
Exact_Mass:
|
408.129700
|
