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Molecular_Structure:
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['1. Molar refractive index 4112 ', '2. Molar volume 125 ', '3. Parachor （902K）3301 ', '4. Surface tension 485 ', '5. Dielectric constant N/A ', '6. Polarizability 163 ', '7. Single isotope mass 217954994 Da ', '8. Nominal mass 218 Da ', '9. Average mass 2188161 Da']
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LogP:
|
0.26800
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|
Flash_Point:
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150.3ºC
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FW:
|
218.81600
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|
Density:
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1.75g/cm3
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Bolling_Point:
|
324.8ºC at 760mmHg
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|
Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :136 ', '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:
|
144-149ºC
|
|
PSA:
|
40.46000
|
|
MF:
|
C6H5BBrFO2
|
|
More_Info:
|
['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）144-149 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，04mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）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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|
Exact_Mass:
|
217.95500
|
