AG00088P

1027345-08-9 | Benzenesulfonamide, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-

AG00088P

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CAS Number	1027345-08-9
Catalog Number	AG00088P(AGN-PC-04YUNP)
Chemical Name	Benzenesulfonamide, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-
IUPAC Name	4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide
InChI	InChI=1S/C7H5F4NO4S2/c8-5-2-1-4(18(12,15)16)3-6(5)17(13,14)7(9,10)11/h1-3H,(H2,12,15,16)
InChI Key	JOESWBMGEGYULU-UHFFFAOYSA-N
MDL Number	MFCD16251392
Molecular Formula	C7H5F4NO4S2
Molecular Weight	307.2425
SMILES	O=S(C1=CC=C(F)C(S(=O)(C(F)(F)F)=O)=C1)(N)=O
Synonyms	1027345-08-9, 4-Fluoro-3-((trifluoromethyl)sulfonyl)benzenesulfonamide, 4-FLUORO-3-(TRIFLUOROMETHYLSULFONYL)BENZENESULFONAMIDE, 4-FLUORO-3-[(TRIFLUOROMETHYL)SULFONYL]BENZENESULFONAMIDE, AK-56281, JOESWBMGEGYULU-UHFFFAOYSA-N, PubChem19203, C7H5F4NO4S2, SCHEMBL554223, CTK8B5453, DTXSID10648573, ANW-48775, MFCD16251392, ZINC50888583, AKOS015888186, CS-W008963, TRA0052270, BR-56281, CJ-20670, DS-14988, SY008323, AB0034465, AJ-111628, AX8173984, DB-058849, TC-137520, 4CH-009420, FT-0668741, ST24029094, X8623, S-5016, J-000775, 3-(Trifluoromethylsulfonyl)-4-fluorobenzenesulfonamide, I01-10111, 4-Fluoro-3-(trifluoromethylsulfonyl) benzenesulfonamide, 4-fluoro-3-(trifluoromethylsulfonyl)-benzenesulfonamide, 4-fluoro-3-trifluoromethanesulfonylbenzene-1-sulfonamide, 4-Fluoro-3- ((trifluoromethyl)sulfonyl)benzenesulfonamide, 4-Fluoro-3-(trifluoromethanesulfonyl)benzene-1-sulfonamide, Benzenesulfonamide, 4-fluoro-3-[(trifluoromethyl)sulfonyl]-,

Complexity	501
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.96g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	307.234g/mol
Monoisotopic Mass	306.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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