AG002RSN

2613-26-5 | Sulfur, pentafluoro(3-nitrophenyl)-, (OC-6-21)-

AG002RSN

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CAS Number	2613-26-5
Catalog Number	AG002RSN(AGN-PC-0R20RI)
Chemical Name	Sulfur, pentafluoro(3-nitrophenyl)-, (OC-6-21)-
EC Number	447-600-2
IUPAC Name	pentafluoro-(3-nitrophenyl)-λ6-sulfane
InChI	InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-2-5(4-6)12(13)14/h1-4H
InChI Key	FSTNQYCPXJMFMT-UHFFFAOYSA-N
MDL Number	MFCD00221621
Molecular Formula	C6H4F5NO2S
Molecular Weight	249.1585
SMILES	O=[N+](C1=CC(S(F)(F)(F)(F)F)=CC=C1)[O-]
Synonyms	3-Nitrophenylsulfur Pentafluoride, 2613-26-5, 3-nitrophenylsulphur pentafluoride, 3-Nitrobenzenesulfur pentafluoride, 3-(pentafluorosulfur)-nitrobenzene, MFCD00221621, 1-nitro-3-(pentafluorosulfanyl)benzene, Sulfur,pentafluoro(3-nitrophenyl)-, (OC-6-21)- (9CI), AC1MCQFX, ACMC-209goj, pentafluoro-(3-nitrophenyl)-, 3-(Pentafluorothio)nitrobenzene, SCHEMBL1291141, 3-nitropentafluorosulfanylbenzene, 3-pentafluorosulphanylnitrobenzene, CTK4F7124, DTXSID30379675, FSTNQYCPXJMFMT-UHFFFAOYSA-N, 3-Nitrophenylpentafluorosulfur(VI), 3-(Pentafluorosulfanyl)nitrobenzene, ZX-AP012516, ANW-25889, BBL102460, PC0472, SBB055110, STL556262, ZINC95681976, AKOS005255140, ACM2613265, 3-Nitrophenylsulfur pentafluoride, 95%, PS-10480, TR-011821, FT-0616260, N0742, pentafluoro-(3-nitrophenyl)-$l^{6}-sulfane, V4753, X-4124, 1-nitro-3-(pentafluoro-$l^{6}-sulfanyl)benzene, A818197, 1-NITRO-3-(PENTAFLUORO-??-SULFANYL)BENZENE, 1-nitro-3-(pentafluoro-lambda~6~-sulfanyl)benzene, J-016270, pentakis(fluoranyl)-(3-nitrophenyl)-$l^{6}-sulfane, I14-25706, C6H4F5NO2S, 3-NITROPHENYLSULFURPENTAFLUORIDE, CID2775738, CID 2775738,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.988g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.155g/mol
Monoisotopic Mass	248.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H332-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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