Rofecoxib

Catalog No: FT-0631192

CAS No: 162011-90-7

Chemical Name: Rofecoxib
Molecular Formula: C17H14O4S
Molecular Weight: 314.4
InChI Key: RZJQGNCSTQAWON-UHFFFAOYSA-N
InChI: InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

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

Refractive_Index:	1.619
Vapor_Pressure:	0.0±1.6 mmHg at 25°C
Flash_Point:	303.1±30.1 °C
LogP:	1.34
Bolling_Point:	577.6±50.0 °C at 760 mmHg
FW:	314.356
PSA:	68.82000
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 688 ', '7. Heavy Atom Count :22 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :556 ', '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']
Melting_Point:	207°C
MF:	C17H14O4S
Exact_Mass:	314.061279
Molecular_Structure:	['1 . Molar refractive index 8269 ', '2 . Molar volume 2356 ', '3 . Parachor （902K）6318 ', '4 . Surface tension 516 ', '5 . Polarizability 3278']
Density:	1.3±0.1 g/cm3