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Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 622255813 Da ', '8. Nominal mass 622 Da ', '9. Average mass 623139 Da']
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Flash_Point:
|
482ºC
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Refractive_Index:
|
67.7 ° (C=1, H2O)
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|
FW:
|
623.139
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Bolling_Point:
|
257 °C
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 113 ', '7. Heavy Atom Count :44 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1200 ', '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 :2']
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|
LogP:
|
4.76890
|
|
Melting_Point:
|
250-256°C (dec.)
|
|
PSA:
|
114.20000
|
|
MF:
|
C33H39ClN4O6
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|
More_Info:
|
['1 . Appearance 淡Yellow 粉末 ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）250-256 ', '5 . Boiling point（ºC,Atmospheric pressure）257 ', '6 . Boiling point（ºC，8mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）677 ', '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 Unknow']
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|
Vapor_Pressure:
|
1.31E-32mmHg at 25°C
|
|
Exact_Mass:
|
622.255798
|
