P-TOLUENESULFONIC ACID 3-NITROPHENYL ESTER

Catalog No: FT-0635054

CAS No: 3899-90-9

Chemical Name: P-TOLUENESULFONIC ACID 3-NITROPHENYL ESTER
Molecular Formula: C13H11NO5S
Molecular Weight: 293.3
InChI Key: QRMMIQVSVATYQP-UHFFFAOYSA-N
InChI: InChI=1S/C13H11NO5S/c1-10-5-7-13(8-6-10)20(17,18)19-12-4-2-3-11(9-12)14(15)16/h2-9H,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

Melting_Point:	113ºC
CAS:	3899-90-9
MF:	C13H11NO5S
Flash_Point:	227.8ºC
Product_Name:	(3-nitrophenyl) 4-methylbenzenesulfonate
Density:	1.388g/cm3
FW:	293.29500
Bolling_Point:	453ºC at 760 mmHg

Refractive_Index:	1.604
Flash_Point:	227.8ºC
LogP:	4.27490
Bolling_Point:	453ºC at 760 mmHg
FW:	293.29500
PSA:	97.57000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 976 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :431 ', '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:	113ºC
MF:	C13H11NO5S
Exact_Mass:	293.03600
Density:	1.388g/cm3