AG000YVP

129112-26-1 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodophenyl ester

AG000YVP

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CAS Number	129112-26-1
Catalog Number	AG000YVP(AGN-PC-0NAIHC)
Chemical Name	Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodophenyl ester
IUPAC Name	(2-iodophenyl) trifluoromethanesulfonate
InChI	InChI=1S/C7H4F3IO3S/c8-7(9,10)15(12,13)14-6-4-2-1-3-5(6)11/h1-4H
InChI Key	AXIDYNSWXPNBLG-UHFFFAOYSA-N
MDL Number	MFCD07784326
Molecular Formula	C7H4F3IO3S
Molecular Weight	352.0695
SMILES	FC(S(=O)(=O)OC1=C(C=CC=C1)I)(F)F
Synonyms	2-Iodophenyl Trifluoromethanesulfonate, 129112-26-1, 2-Iodophenyltriflate, Trifluoromethanesulfonic Acid 2-Iodophenyl Ester, 2-Iodophenyl Triflate, ACMC-209bg3, SCHEMBL5599136, CTK4B6164, DTXSID80444882, ANW-19105, MFCD07784326, AKOS026670538, ZINC100008178, TC-107850, CS-0081876, I0770, I14-102036, ACN-041976, CID10784152, 1-iodo-2-(trifluoromethylsulfonyloxy)benzene,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	351.888g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	352.066g/mol
Monoisotopic Mass	351.888g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number