AG00C38S

247129-85-7 | (2-Bromoethyl)diphenylsulfonium trifluoromethanesulfonate

AG00C38S

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CAS Number	247129-85-7
Catalog Number	AG00C38S(AGN-PC-0R0I59)
Chemical Name	(2-Bromoethyl)diphenylsulfonium trifluoromethanesulfonate
IUPAC Name	2-bromoethyl(diphenyl)sulfanium;trifluoromethanesulfonate
InChI	InChI=1S/C14H14BrS.CHF3O3S/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)8(5,6)7/h1-10H,11-12H2;(H,5,6,7)/q+1;/p-1
InChI Key	SAXNFOVPRAUGNK-UHFFFAOYSA-M
MDL Number	MFCD12546049
Molecular Formula	C15H14BrF3O3S2
Molecular Weight	443.2991
SMILES	BrCC[S+](C2=CC=CC=C2)C1=CC=CC=C1.O=S(C(F)(F)F)([O-])=O
Synonyms	247129-85-7, (2-BROMOETHYL)DIPHENYLSULFONIUM TRIFLUOROMETHANESULFONATE, (2-Bromoethyl)diphenylsulfonium Triflate, J-500663, SCHEMBL1830916, CTK8F1654, DTXSID90649003, SAXNFOVPRAUGNK-UHFFFAOYSA-M, MFCD12546049, AKOS025310549, ACN-048855, B3958, 2-bromoethyl(diphenyl)sulfanium;trifluoromethanesulfonate, (2-Bromoethyl)(diphenyl)sulfanium trifluoromethanesulfonate, (2-BROMOETHYL)DIPHENYLSULFONIUMTRIFLUOROMETHANESULFONATE,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	441.952g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	443.293g/mol
Monoisotopic Mass	441.952g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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