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Refractive_Index:
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1.666
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PSA:
|
65.72000
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Molecular_Structure:
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['1. Molar refractive index 4306 ', '2. Molar volume 1158 ', '3. Parachor （902K）3233 ', '4. Surface tension 607 ', '5. Dielectric constant N/A ', '6. Polarizability 1707 ', '7. Single isotope mass 251939562 Da ', '8. Nominal mass 252 Da ', '9. Average mass 2520099 Da']
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Computational_Chemistry:
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['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :17 ', '6. TPSA 582 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :234 ', '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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Melting_Point:
|
280ºC (dec.)(lit.)
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MF:
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C5H5IN2O2
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Exact_Mass:
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251.94000
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FW:
|
252.01000
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Density:
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2.17g/cm3
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More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）280 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point（ºC）Unknow ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow . Solubility Unknow']
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