|
MF:
|
C9H11BrO
|
|
Bolling_Point:
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254 ºC
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|
Exact_Mass:
|
213.999313
|
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More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/mL,15℃）136 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）254 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Refractive index1541 ', '7 . Flash point（ºC）113 ', '8 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '9 . Specific rotation（º） Unknow ', '10 . Vapor pressure（kPa,25ºC）Unknow ', '11 . Saturated vapor pressure（kPa,60ºC）Unknow ', '12 . Combustion heat（KJ/mol）Unknow ', '13 . Critical temperature（ºC）Unknow ', '14 . Critical pressure（KPa）Unknow ', '15 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion（%,V/V）Unknow ', '17 . Lower limit of explosion（%,V/V）Unknow . Solubility Unknow']
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|
PSA:
|
9.23000
|
|
Flash_Point:
|
113 ºC
|
|
Refractive_Index:
|
1.543
|
|
Density:
|
1.36
|
|
Molecular_Structure:
|
['1. Molar refractive index 4991 ', '2. Molar volume 1583 ', '3. Parachor （902K）3954 ', '4. Surface tension 389 ', '5. Dielectric constant N/A ', '6. Polarizability 1978 ', '7. Single isotope mass 21399932 Da ', '8. Nominal mass 214 Da ', '9. Average mass 215087 Da']
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Computational_Chemistry:
|
['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 92 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :896 ', '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']
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|
FW:
|
215.087
|
|
LogP:
|
3.00
|
|
Vapor_Pressure:
|
0.0±0.5 mmHg at 25°C
|
