rac-Benzilonium Bromide

Catalog No: FT-0662543

CAS No: 1050-48-2

Chemical Name: rac-Benzilonium Bromide
Molecular Formula: C22H28BrNO3
Molecular Weight: 434.4
InChI Key: GGMMWVHTLAENAS-UHFFFAOYSA-M
InChI: InChI=1S/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1

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

MF:	C22H28BrNO3
Exact_Mass:	433.12500
LogP:	0.05740
FW:	434.36700
PSA:	46.53000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA :465 ', '7. Heavy Atom Count :27 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :444 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']