AG003U2Q

52193-54-1 | Pyridin-1-ium trifluoromethanesulfonate

AG003U2Q

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CAS Number	52193-54-1
Catalog Number	AG003U2Q(AGN-PC-0NDMRX)
Chemical Name	Pyridin-1-ium trifluoromethanesulfonate
IUPAC Name	pyridin-1-ium;trifluoromethanesulfonate
InChI	InChI=1S/C5H5N.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)
InChI Key	YWVYZMVYXAVAKS-UHFFFAOYSA-N
MDL Number	MFCD00274656
Molecular Formula	C6H6F3NO3S
Molecular Weight	229.1769
SMILES	O=S(C(F)(F)F)([O-])=O.C1=CC=CC=[NH+]1
Synonyms	52193-54-1, Pyridinium triflate, pyridin-1-ium trifluoromethanesulfonate, ACMC-209ky5, SCHEMBL318231, AC1MC242, CTK1G8962, DTXSID50370543, YWVYZMVYXAVAKS-UHFFFAOYSA-N, KS-000014LW, pyridinium trifluoromethanesulphonate, ANW-31419, AKOS015852954, pyridin-1-ium; trifluoromethanesulfonate, PYRIDINIUMTRIFLUOROMETHANESULFONATE, TR-018537, FT-0700859, P1627, Pyridinium trifluoromethanesulfonate, MFCD00274656, CID2734866, IUPAC: 1H-pyridine; Trifluoromethanesulfonate,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.002g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.173g/mol
Monoisotopic Mass	229.002g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number