|
FW:
|
182.55900
|
|
MF:
|
C2H4ClNaO4S
|
|
Computational_Chemistry:
|
['1 . Hydrogen Bond Donor Count 1 ', '2 . Hydrogen Bond Acceptor Count 4 ', '3 . Rotatable Bond Count 2 ', '4 . TPSA 774 ', '5 . Heavy Atom Count 9 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 148 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 0 ', '10 . Undefined Atom Stereocenter Count 1 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 2']
|
|
LogP:
|
0.16960
|
|
More_Info:
|
['1 . Appearance White 粉末 ', '2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，01mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）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']
|
|
PSA:
|
85.81000
|
|
Exact_Mass:
|
181.94200
|
|
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 181941651 Da ', '8. Nominal mass 182 Da ', '9. Average mass 1825585 Da']
|
