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Molecular_Structure:
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['1. Molar refractive index 4266 ', '2. Molar volume 1509 ', '3. Parachor （902K）3629 ', '4. Surface tension 334 ', '5. Dielectric constant N/A ', '6. Polarizability 1691 ', '7. Single isotope mass 242971019 Da ', '8. Nominal mass 243 Da ', '9. Average mass 2435429 Da']
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Flash_Point:
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113 °C
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Refractive_Index:
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1.482
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FW:
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243.54300
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Density:
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1.607 g/mL at 25 °C(lit.)
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Bolling_Point:
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200 °C(lit.)
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Computational_Chemistry:
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['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :254 ', '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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LogP:
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3.92930
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|
Melting_Point:
|
200ºC (lit.)
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|
PSA:
|
45.82000
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MF:
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C7H2ClF4NO2
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More_Info:
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['1 . Appearance Yellow Liquid ', '2 . Density（g/mL,20℃）1607 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）200 ', '6 . Boiling point（ºC，08mmHg）Unknow ', '7 . Refractive index(n20/D)1482 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Unknow ', '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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Exact_Mass:
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242.97100
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