AG000CYQ

1166756-97-3 | Benzene, 2-fluoro-4-(methylsulfonyl)-1-nitro-

AG000CYQ

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CAS Number	1166756-97-3
Catalog Number	AG000CYQ(AGN-PC-09T3X3)
Chemical Name	Benzene, 2-fluoro-4-(methylsulfonyl)-1-nitro-
IUPAC Name	2-fluoro-4-methylsulfonyl-1-nitrobenzene
InChI	InChI=1S/C7H6FNO4S/c1-14(12,13)5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key	NIAYCKUEQBPTDM-UHFFFAOYSA-N
MDL Number	MFCD12828682
Molecular Formula	C7H6FNO4S
Molecular Weight	219.1902
SMILES	O=[N+](C1=CC=C(S(=O)(C)=O)C=C1F)[O-]
Synonyms	2-FLUORO-4-(METHYLSULFONYL)NITROBENZENE, 1166756-97-3, 2-Fluoro-4-(methylsulfonyl)-1-nitrobenzene, SCHEMBL18894159, CTK8E1747, DTXSID10700185, 5550AJ, MFCD12828682, ZINC42684383, AKOS022183525, TRA0046038, AS-32346, SY006066, 2-fluoro-4-methanesulfonyl-1-nitrobenzene, AB0050901, AJ-104558, DB-021064, TC-307100, 2-Fluoro-4-(methanesulfonyl)-1-nitrobenzene, FT-0749548, Z-3964, Benzene, 2-fluoro-4-(methylsulfonyl)-1-nitro-, MFCD12828682 (97+%), C7H6FNO4S, 220455-42-5,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.186g/mol
Monoisotopic Mass	219g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number