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Molecular_Structure:
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['五分子性质数据 ', '1 . Molar refractive index 4531 ', '2 . Molar volume （m3/mol）1482 ', '3 . Parachor （902K）3638 ', '4 . Surface tension 362 ', '5 . Polarizability （10 -24cm 3）1796']
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LogP:
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3.39
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Flash_Point:
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95.7±25.9 °C
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Refractive_Index:
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1.523
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FW:
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256.020
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Density:
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1.7±0.1 g/cm3
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Bolling_Point:
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234.7±35.0 °C at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 352 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :176 ', '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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PSA:
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35.25000
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MF:
|
C7H5BrF3NO
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|
More_Info:
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['1 . Appearance Unknow ', '2 . Density（g/mL20 ºC）171 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º F）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（正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:
|
0.1±0.5 mmHg at 25°C
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Exact_Mass:
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254.950653
|
