MF:
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C10H12ClN5O4
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Bolling_Point:
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729.9±70.0 °C at 760 mmHg
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Exact_Mass:
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301.057770
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More_Info:
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['1 . Appearance 粉末 ', '2 . Density(g/mL,25ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)166-167 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,08mmHg)Unknow ', '7 . Refractive index-38 ° (C=01, H2O) ', '8 . Flash point(°C)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)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 Unknow']
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Melting_Point:
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165-167 °C (dec.)(lit.)
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PSA:
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139.54000
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Flash_Point:
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395.2±35.7 °C
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Computational_Chemistry:
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['1 . XlogP -01 ', '2 . Hydrogen Bond Donor Count 4 ', '3 . Hydrogen Bond Acceptor Count 8 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 140 ', '7 . Heavy Atom Count 20 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 367 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 4 ', '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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Density:
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2.2±0.1 g/cm3
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Molecular_Structure:
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['1. Molar refractive index 6455 ', '2. Molar volume 1374 ', '3. Parachor (902K)4416 ', '4. Surface tension 1065 ', '5. Dielectric constant N/A ', '6. Polarizability 2559 ', '7. Single isotope mass 301057782Da ', '8. Nominal mass 301Da ', '9. Average mass 3016864Da']
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Vapor_Pressure:
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0.0±2.5 mmHg at 25°C
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FW:
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301.686
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LogP:
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-0.59
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Refractive_Index:
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1.912
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