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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 373180857 Da ', '8. Nominal mass 373 Da ', '9. Average mass 3739162 Da']
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Flash_Point:
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247.5ºC
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Refractive_Index:
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-57.5 ° (C=1, H2O)
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|
FW:
|
373.916
|
|
Bolling_Point:
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485.6ºC at 760mmHg
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Computational_Chemistry:
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['1 . XlogP ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 405 ', '7 . Heavy Atom Count 26 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 412 ', '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:
|
4.97590
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|
Melting_Point:
|
183-185 °C (dec.)(lit.)
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|
PSA:
|
40.54000
|
|
MF:
|
C22H28ClNO2
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|
More_Info:
|
['1 . Appearance White or 黄White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）183-185 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,04KPa）Unknow ', '7 . Refractive index（C=1，H2O）-575 º ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 Water 025mg/ml']
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|
Vapor_Pressure:
|
3.02E-11mmHg at 25°C
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|
Exact_Mass:
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373.180847
|
