Molecular_Structure:
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['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor (902K)N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 367078299Da ', '8. Nominal mass 367Da ', '9. Average mass 3682655Da']
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Refractive_Index:
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-95 ° (C=1.4, H2O)
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FW:
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368.266
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Computational_Chemistry:
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['1 . XlogP ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 419 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 440 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 3 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 2']
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LogP:
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2.74630
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Melting_Point:
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256 °C
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PSA:
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41.93000
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MF:
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C17H22BrNO3
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More_Info:
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['1 . Appearance Unknow ', '2 . Density(g/mL,20ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)256 ', '5 . Boiling point(ºC)Unknow ', '6 . Boiling point(ºC,20mmHg)Unknow ', '7 . Refractive index-95 ° (C=14, H2O) ', '8 . Flash point(°F)Unknow ', '9 . Specific rotation(ºF)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,110ºC)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 Unknow']
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Vapor_Pressure:
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0mmHg at 25°C
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Exact_Mass:
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367.078308
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