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Molecular_Structure:
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['1. Molar refractive index 4193 ', '2. Molar volume 1523 ', '3. Parachor （902K）3517 ', '4. Surface tension 284 ', '5. Dielectric constant N/A ', '6. Polarizability 1662 ', '7. Single isotope mass 176020055Da ', '8. Nominal mass 176Da ', '9. Average mass 1770821Da']
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LogP:
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3.12770
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Flash_Point:
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137 °F
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Refractive_Index:
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n20/D 1.466(lit.)
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FW:
|
177.08200
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Density:
|
1.162 g/mL at 25 °C(lit.)
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Bolling_Point:
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27 °C1 mm Hg(lit.)
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Computational_Chemistry:
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['1 . XlogP 5 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 20 ', '4 . Rotatable Bond Count 22 ', '5 . Isotope Atom Count 3 ', '6 . TPSA 261 ', '7 . Heavy Atom Count 73 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 1810 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 13 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 3 ', '15. Covalently-Bonded Unit Count 1']
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Melting_Point:
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0°C
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|
Exact_Mass:
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176.02000
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More_Info:
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['1 . Appearance Colourless Liquid ', '2 . Density（g/mLat 25°C）1162 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,1mmHg）27 ', '7 . Refractive index（n20/D）1466 ', '8 . Flash point（ºC）58 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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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MF:
|
C7H13Br
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