AG003LCV

78228-02-1 | 4-Fluoro-2-(methylsulfonyl)nitrobenzene

AG003LCV

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CAS Number	78228-02-1
Catalog Number	AG003LCV(AGN-PC-0NJY9C)
Chemical Name	4-Fluoro-2-(methylsulfonyl)nitrobenzene
IUPAC Name	4-fluoro-2-methylsulfonyl-1-nitrobenzene
InChI	InChI=1S/C7H6FNO4S/c1-14(12,13)7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3
InChI Key	QXHBGUXOBBSNNZ-UHFFFAOYSA-N
MDL Number	MFCD13191590
Molecular Formula	C7H6FNO4S
Molecular Weight	219.1902
SMILES	O=[N+](C1=CC=C(F)C=C1S(=O)(C)=O)[O-]
Synonyms	4-FLUORO-2-(METHYLSULFONYL)NITROBENZENE, 78228-02-1, 4-FLUORO-2-(METHYLSULFONYL)-1-NITROBENZENE, SCHEMBL20150270, KS-00000EO0, 6160AJ, MFCD13191590, ZINC39270125, AKOS015888279, 4-Fluoro-2-(methylsulfonyl)ntrobenzene, FCH1381524, TRA0071899, AJ-99537, AS-31620, SY006660, AB0060533, AX8173844, DB-075434, TC-307685, FT-0758507, Z-3993, MFCD13191590 (97+%), I01-10493, C7H6FNO4S, 4925-61-5,

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

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