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Molecular_Structure:
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['1 . Molar refractive index 5496 ', '2 . Molar volume （m3/mol）1662 ', '3 . Parachor (902K)4261 ', '4 表面张力(dyne/cm)431 ', '5 . Polarizability (10-24cm3)2178']
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Flash_Point:
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106-107°C/1.3mm
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Refractive_Index:
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1.575
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FW:
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244.08500
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Density:
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1.467g/cm3
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Bolling_Point:
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106-107 °C1.3 mm Hg(lit.)
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Computational_Chemistry:
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['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :204 ', '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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LogP:
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3.80570
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Melting_Point:
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59-64 °C(lit.)
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PSA:
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45.82000
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MF:
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C9H10BrNO2
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More_Info:
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['1 . Appearance 奶油色to Yellow Solid ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）59-64 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC1，7hPa）106-107 ', '7 . Refractive indexUnknow ', '8 . Flash point（13mmHg）106-107 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20 ºC）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 2，621 ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 不能溶解于Water ']
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Exact_Mass:
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242.98900
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