AG003H97

828270-60-6 | 2-Fluoro-4-(methylsulfonyl)toluene

AG003H97

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CAS Number	828270-60-6
Catalog Number	AG003H97(AGN-PC-09RXW8)
Chemical Name	2-Fluoro-4-(methylsulfonyl)toluene
IUPAC Name	2-fluoro-1-methyl-4-methylsulfonylbenzene
InChI	InChI=1S/C8H9FO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key	JVSGZPNRSFBICJ-UHFFFAOYSA-N
MDL Number	MFCD14585007
Molecular Formula	C8H9FO2S
Molecular Weight	188.2193
SMILES	CC1=CC=C(S(=O)(C)=O)C=C1F
Synonyms	2-fluoro-4-(methylsulfonyl)toluene, 828270-60-6, Benzene, 2-fluoro-1-methyl-4-(methylsulfonyl)-, 2-FLUORO-1-METHYL-4-(METHYLSULFONYL)BENZENE, SCHEMBL3757908, CTK3D5916, KS-00000EQP, DTXSID10697223, 5551AJ, MFCD14585007, ZINC42684525, AKOS024257797, FCH1149249, TRA0025445, AS-32414, CJ-20356, SY007188, 2-fluoro-1-methyl-4-methylsulfonylbenzene, DB-075881, TC-307101, FT-0733031, 2-Fluoro-4-(methanesulfonyl)-1-methylbenzene, Z-4020, MFCD14585007 (97+%), C8H9FO2S, 887974-96-1,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.216g/mol
Monoisotopic Mass	188.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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