MF:
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C13H9F3N2O2
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Bolling_Point:
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378.0±42.0 °C at 760 mmHg
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Exact_Mass:
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282.061615
|
More_Info:
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['1 . Appearance 从 Ethanol 中得to 结晶。淡Yellow 结晶性粉末 ', '2 . Density(g/mL ,25/4℃)不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)203-204 ', '5 . Boiling point(ºC,1mmHg)不确定 ', '6 . Boiling point(ºC,22mmHg)不确定 ', '7 . Refractive index不确定 ', '8 . Flash point(ºC)不确定 ', '9 . Specific rotation(º)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 11 蒸汽压( 20ºC ) 不确定 12 . Saturated vapor pressure( kPa,60ºC )不确定 ', '13 . Combustion heat(KJ/mol)不确定 ', '14 . Critical temperature(ºC)不确定 ', '15 . Critical pressure(KPa)不确定 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion(%,V/V)不确定 ', '18 . Lower limit of explosion(%,V/V)不确定 ', '19 . Solubility 不确定']
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Melting_Point:
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203-204ºC
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PSA:
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62.22000
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Flash_Point:
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182.4±27.9 °C
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Refractive_Index:
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1.589
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Density:
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1.4±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 6562 ', '2 . Molar volume (m3/mol)1943 ', '3 . Parachor (902K)5141 ', '4 . Surface tension 485 ', '5 . Polarizability (10 -24cm 3)2601']
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Computational_Chemistry:
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['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :4 ', '6. TPSA 622 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :349 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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FW:
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282.218
|
LogP:
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4.94
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Vapor_Pressure:
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0.0±0.9 mmHg at 25°C
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