Chemical Name: [(1S)-1-phenylethyl] 3,5-dinitrobenzoate
Molecular Formula: C15H12N2O6
Molecular Weight: 316.26
InChI Key: YATKDADIXNBBCZ-JTQLQIEISA-N
InChI: InChI=1S/C15H12N2O6/c1-10(11-5-3-2-4-6-11)23-15(18)12-7-13(16(19)20)9-14(8-12)17(21)22/h2-10H,1H3/t10-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	461.213ºC at 760 mmHg
CAS:	3205-18-3
MF:	C15H12N2O6
Density:	1.381g/cm3
Melting_Point:	122-125ºC(lit.)
Product_Name:	[(1S)-1-phenylethyl] 3,5-dinitrobenzoate
Flash_Point:	196.635ºC
FW:	316.26600

MF:	C15H12N2O6
Density:	1.381g/cm3
Computational_Chemistry:	['1. XlogP :33 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 118 ', '7. Heavy Atom Count :23 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :430 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mLat 20°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）122-125 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,3mmHg）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,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
Exact_Mass:	316.07000
Flash_Point:	196.635ºC
PSA:	117.94000
Molecular_Structure:	['1 . Molar refractive index 8024 ', '2 . Molar volume （m3/mol）2289 ', '3 . Parachor （902K）6336 ', '4 . Surface tension 586 ', '5 . Dielectric constant （F/m）无可用 ', '6 偶极距（D）无可用 ', '7 . Polarizability （10 -24cm 3）3180']
LogP:	4.46740
Bolling_Point:	461.213ºC at 760 mmHg
FW:	316.26600
Refractive_Index:	1.618
Melting_Point:	122-125ºC(lit.)