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Molecular_Structure:
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['1. Molar refractive index 623 ', '2. Molar volume 1601 ', '3. Parachor （902K）4599 ', '4. Surface tension 68 ', '5. Dielectric constant N/A ', '6. Polarizability 2469 ', '7. Single isotope mass 255052302 Da ', '8. Nominal mass 255 Da ', '9. Average mass 255661 Da']
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Flash_Point:
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221.3±31.5 °C
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Refractive_Index:
|
1.706
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FW:
|
255.661
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Density:
|
1.6±0.1 g/cm3
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|
Bolling_Point:
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442.3±55.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1. XlogP :08 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :2 ', '6. TPSA 863 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :319 ', '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:
|
-0.43
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|
Melting_Point:
|
136-144ºC
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|
PSA:
|
86.34000
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|
MF:
|
C9H10ClN5O2
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|
More_Info:
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['1. Appearance 纯品为White 结晶 ', '2. Melting point1438℃ (A)1364℃ (B) ', '3. Vapor pressure2×10-7Pa (20℃) ', '4溶解度20℃时，己烷<01g/L，异丙醇1～2g/L，Water 05g/L。在土壤中稳定性较高，半衰期150d。']
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|
Vapor_Pressure:
|
0.0±1.1 mmHg at 25°C
|
|
Exact_Mass:
|
255.052307
|
