|
Molecular_Structure:
|
['1. Molar refractive index 5656 ', '2. Molar volume 1535 ', '3. Parachor （902K）4123 ', '4. Surface tension 519 ', '5. Dielectric constant N/A ', '6. Polarizability 2242 ', '7. Single isotope mass 252973834 Da ', '8. Nominal mass 253 Da ', '9. Average mass 25408 Da']
|
|
LogP:
|
2.76950
|
|
Flash_Point:
|
187.9ºC
|
|
Refractive_Index:
|
1.658
|
|
FW:
|
254.08000
|
|
Density:
|
1.65 g/cm3
|
|
Bolling_Point:
|
387.1ºC at 760 mmHg
|
|
Computational_Chemistry:
|
['1. XlogP :22 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :2 ', '6. TPSA 422 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :246 ', '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']
|
|
Melting_Point:
|
187-188°C
|
|
PSA:
|
42.23000
|
|
MF:
|
C10H8BrNO2
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）187-188 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，10mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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,25ºC）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:
|
1.52E-06mmHg at 25°C
|
|
Exact_Mass:
|
252.97400
|
