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Molecular_Structure:
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['1 . Molar refractive index 4048 ', '2 . Molar volume （m3/mol）1216 ', '3 . Parachor （902K）3203 ', '4 . Surface tension 480 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1604']
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LogP:
|
2.36
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Flash_Point:
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89.3±21.8 °C
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Refractive_Index:
|
1.580
|
|
FW:
|
219.996
|
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Density:
|
1.8±0.1 g/cm3
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|
Bolling_Point:
|
224.0±20.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :161 ', '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:
|
44ºC
|
|
PSA:
|
45.82000
|
|
MF:
|
C6H3BrFNO2
|
|
More_Info:
|
['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） ', '5 . Boiling point（ºC,Atmospheric pressure） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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（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 。']
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|
Vapor_Pressure:
|
0.1±0.4 mmHg at 25°C
|
|
Exact_Mass:
|
218.933105
|
