MF:
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C7H4FNS
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Bolling_Point:
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228.8±13.0 °C at 760 mmHg
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Exact_Mass:
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153.004852
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More_Info:
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['1 . Appearance Solid 。 ', '2 . Density(g/mL,25/4℃) 125 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)24-26 ', '5 . Boiling point(ºC,Atmospheric pressure)228 ', '6 . Boiling point(ºC,52kPa) Unknow ', '7 . Refractive index 16195-16215 ', '8 . Flash point(ºC) 89 ', '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']
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Melting_Point:
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24-26 °C(lit.)
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PSA:
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44.45000
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Flash_Point:
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89.4±0.0 °C
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Refractive_Index:
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1.553
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Density:
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1.2±0.1 g/cm3
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Molecular_Structure:
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['1 . Molar refractive index 4250 ', '2 . Molar volume (m3/mol)1328 ', '3 . Parachor (902K)3185 ', '4 . Surface tension : 330 ', '5 . Dielectric constant 无可用 ', '6 偶极距(10 -24cm 3)无可用 ', '7 . Polarizability 1684']
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Computational_Chemistry:
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['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :146 ', '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:
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153.177
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LogP:
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3.28
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Vapor_Pressure:
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0.1±0.4 mmHg at 25°C
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