AG003LON

66107-29-7 | 4-Methoxyphenyl trifluoromethanesulfonate

AG003LON

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CAS Number	66107-29-7
Catalog Number	AG003LON(AGN-PC-0WANT3)
Chemical Name	4-Methoxyphenyl trifluoromethanesulfonate
IUPAC Name	(4-methoxyphenyl) trifluoromethanesulfonate
InChI	InChI=1S/C8H7F3O4S/c1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11/h2-5H,1H3
InChI Key	XSTNIRWDULKNJE-UHFFFAOYSA-N
MDL Number	MFCD00209596
Molecular Formula	C8H7F3O4S
Molecular Weight	256.1990
SMILES	O=S(OC1=CC=C(OC)C=C1)(C(F)(F)F)=O
Synonyms	4-Methoxyphenyl trifluoromethanesulfonate, 66107-29-7, 4-Methoxyphenyl Triflate, XSTNIRWDULKNJE-UHFFFAOYSA-N, 4-Methoxyphenyl trifluoromethanesulphonate, 4-methoxyphenyl (trifluoromethyl)sulfonate, 4-Methoxyphenyltriflate, ghl.PD_Mitscher_leg0.1324, AC1LBAJ9, AC1Q4KIP, ACMC-1B8NI, SCHEMBL1997269, CTK1J5253, ZX-AP002440, 4-trifluoromethane-sulfonyloxyanisole, 4-(Trifluoromethylsulfonyloxy)anisole, ANW-35144, KM0990, MFCD00209596, PC2102, SBB006469, AKOS015916708, ZINC100021929, FCH2711725, MCULE-9220048860, PS-11204, ST057369, (4-methoxyphenyl) trifluoromethanesulfonate, TC-123889, M2044, (4-methoxyphenyl) tris(fluoranyl)methanesulfonate, A835337, Trifluoromethanesulfonic Acid 4-Methoxyphenyl Ester, I14-50728, trifluoromethanesulfonic acid (4-methoxyphenyl) ester, Methanesulfonic acid, trifluoro-, 4-methoxyphenyl ester, 5788-41-0, AR-1G3231, CID579337, ACN-041964, 6631-34-1,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.002g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.195g/mol
Monoisotopic Mass	256.002g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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	\N

Certificate of Analysis

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