Chemical Name: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE
Molecular Formula: C13H9NO3S
Molecular Weight: 259.28
InChI Key: QZLINQZBUKTXIZ-BQYQJAHWSA-N
InChI: InChI=1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+

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

Product_Name:	1-(4-nitrophenyl)-3-(2-thienyl)-prop-2-en-1-one
Flash_Point:	227.6ºC
Melting_Point:	168-170ºC
FW:	259.28000
Density:	1.356g/cm3
CAS:	6028-92-8
Bolling_Point:	452.7ºC at 760 mmHg
MF:	C13H9NO3S

Molecular_Structure:	['1 . Molar refractive index 7203 ', '2 . Molar volume （m3/mol）1910 ', '3 . Parachor （902K）5296 ', '4 . Surface tension 589 ', '5 . Polarizability 2855']
Flash_Point:	227.6ºC
Refractive_Index:	1.677
FW:	259.28000
Density:	1.356g/cm3
Bolling_Point:	452.7ºC at 760 mmHg
Computational_Chemistry:	['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 602 ', '7 . Heavy Atom Count 18 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 343 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 1 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	4.07560
Melting_Point:	168-170ºC
PSA:	91.13000
MF:	C13H9NO3S
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）168-170 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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']
Exact_Mass:	259.03000