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MF:
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C8H6Br2O3
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Density:
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1.988g/cm3
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Computational_Chemistry:
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['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :188 ', '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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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）97-101 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°F）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:
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307.86800
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Vapor_Pressure:
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0.000206mmHg at 25°C
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Flash_Point:
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145.8ºC
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PSA:
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46.53000
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Molecular_Structure:
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['1. Molar refractive index 5694 ', '2. Molar volume 1559 ', '3. Parachor （902K）425 ', '4. Surface tension 552 ', '5. Dielectric constant N/A ', '6. Polarizability 2257 ', '7. Single isotope mass 307868354 Da ', '8. Nominal mass 308 Da ', '9. Average mass 3099394 Da']
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LogP:
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2.73830
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Bolling_Point:
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317.5ºC at 760 mmHg
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FW:
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309.93900
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Refractive_Index:
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1.651
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Melting_Point:
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97-101ºC(lit.)
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