AG003O2B

36967-85-8 | Benzoic acid (trifluoromethanesulfonic acid)anhydride

AG003O2B

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CAS Number	36967-85-8
Catalog Number	AG003O2B(AGN-PC-0RD566)
Chemical Name	Benzoic acid (trifluoromethanesulfonic acid)anhydride
IUPAC Name	trifluoromethylsulfonyl benzoate
InChI	InChI=1S/C8H5F3O4S/c9-8(10,11)16(13,14)15-7(12)6-4-2-1-3-5-6/h1-5H
InChI Key	GEZVJNXOBFDIPM-UHFFFAOYSA-N
MDL Number	MFCD17013536
Molecular Formula	C8H5F3O4S
Molecular Weight	254.1831
SMILES	O=S(C(F)(F)F)(OC(C1=CC=CC=C1)=O)=O
Synonyms	Benzoyl Trifluoromethanesulfonate, 36967-85-8, Benzoyl Triflate, Benzoic trifluoromethanesulfonic anhydride, ACMC-1ACY3, SCHEMBL6638516, Benzoyl=trifluoromethanesulfonate, CTK4H7485, DTXSID30453949, ANW-28537, MFCD17013536, AKOS015853197, ZINC100015457, FCH2779148, PC01538, VZ31324, Benzoic trifluoromethylcarbothioic anhydride, Trifluoromethanesulfonic Acid Benzoyl Ester, TR-015071, B3567, Benzoic acid (trifluoromethanesulfonic acid)anhydride, Trifluoromethylsulfonyl Benzoate, CID11064956,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.986g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.179g/mol
Monoisotopic Mass	253.986g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Siginal words

Certificate of Analysis

Lot Number