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Molecular_Structure:
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['1 . Molar refractive index 5682 ', '2 . Molar volume 1562 ', '3 . Parachor （902K）4387 ', '4 . Surface tension 621 ', '5 . Polarizability 2252 ', '6 . Dielectric constant 未确定']
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LogP:
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2.73558
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Flash_Point:
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197.8ºC
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Refractive_Index:
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1.647
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FW:
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264.07500
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Density:
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1.69g/cm3
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Bolling_Point:
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403.4ºC at 760 mmHg
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Computational_Chemistry:
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['1. XlogP :24 ', '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 501 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :379 ', '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:
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186-190 °C(lit.)
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PSA:
|
54.00000
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MF:
|
C11H6BrNO2
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More_Info:
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['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）186-190 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 <P style="TEXT-ALIGN: left; TEXT-INDENT: -18pt; MARGIN: 0cm 0cm 0pt 36pt; mso']
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Exact_Mass:
|
262.95800
|
