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Molecular_Structure:
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['1. Molar refractive index 11329 ', '2. Molar volume 3153 ', '3. Parachor （902K）8701 ', '4. Surface tension 579 ', '5. Dielectric constant N/A ', '6. Polarizability 4491 ', '7. Single isotope mass 421108086 Da ', '8. Nominal mass 421 Da ', '9. Average mass 4218729 Da']
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Flash_Point:
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341.4±31.5 °C
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Refractive_Index:
|
1.638
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FW:
|
421.873
|
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Density:
|
1.3±0.1 g/cm3
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|
Bolling_Point:
|
640.9±55.0 °C at 760 mmHg
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|
Computational_Chemistry:
|
['1 . XlogP 59 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 785 ', '7 . Heavy Atom Count 30 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 579 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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:
|
6.00
|
|
Melting_Point:
|
194ºC
|
|
PSA:
|
75.63000
|
|
MF:
|
C24H20ClNO4
|
|
More_Info:
|
['1 . Appearance White 晶体粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1472 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）30 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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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|
Vapor_Pressure:
|
0.0±2.0 mmHg at 25°C
|
|
Exact_Mass:
|
421.108093
|
