|
Molecular_Structure:
|
['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 27007712 Da ', '8. Nominal mass 270 Da ', '9. Average mass 2707121 Da']
|
|
LogP:
|
3.40350
|
|
Flash_Point:
|
255ºC
|
|
FW:
|
270.71200
|
|
Density:
|
1.33g/cm3
|
|
Bolling_Point:
|
552.7ºC at 760mmHg
|
|
Computational_Chemistry:
|
['1 . XlogP ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 12 ', '6 . TPSA 411 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 516 ', '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 2']
|
|
Melting_Point:
|
321ºC
|
|
PSA:
|
67.37000
|
|
MF:
|
C12H15ClN2O3
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）321 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 10mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）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（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']
|
|
Vapor_Pressure:
|
1.6E-16mmHg at 25°C
|
|
Exact_Mass:
|
270.07700
|
