AG003JWA

107658-27-5 | 3-Pyridyl Trifluoromethanesulfonate

AG003JWA

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CAS Number	107658-27-5
Catalog Number	AG003JWA(AGN-PC-0NEQQ5)
Chemical Name	3-Pyridyl Trifluoromethanesulfonate
IUPAC Name	pyridin-3-yl trifluoromethanesulfonate
InChI	InChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)13-5-2-1-3-10-4-5/h1-4H
InChI Key	ZRNDSLLIAOLRJS-UHFFFAOYSA-N
MDL Number	MFCD00799579
Molecular Formula	C6H4F3NO3S
Molecular Weight	227.1611
SMILES	O=S(C(F)(F)F)(OC1=CC=CN=C1)=O
Synonyms	3-Pyridyl Trifluoromethanesulfonate, 107658-27-5, 3-Pyridyl Triflate, PYRIDIN-3-YL TRIFLUOROMETHANESULFONATE, pyridine-3-triflate, 3-(trifluoromethylsulfonyloxy)pyridine, ACMC-1BO5L, SCHEMBL3718580, CTK4A5575, DTXSID50452636, ZRNDSLLIAOLRJS-UHFFFAOYSA-N, 3-Trifluoromethanesulfonyloxypyridine, ANW-15836, MFCD00799579, ZINC72400368, AKOS015910975, 3-(Trifluoromethylsulfonyloxy)-pyridine, KM-0024, 3-(trifluoromethanesulfonyloxy)-pyridine, RT-008871, FT-0674235, P1860, Trifluoromethanesulfonic Acid 3-Pyridyl Ester, J-001995, I14-38435, 1,1,1-Trifluoro-methanesulfonic Acid 3-Pyridinyl Ester, Methanesulfonic acid,1,1,1-trifluoro-,3-pyridinyl ester, Methanesulfonic acid,1,1,1-trifluoro-, 3-pyridinyl ester, CID11031579,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.986g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.157g/mol
Monoisotopic Mass	226.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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