AG00FEIW

657-46-5 | 1-fluoro-3-methanesulfonylbenzene

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CAS Number	657-46-5
Catalog Number	AG00FEIW(AGN-PC-03EMBT)
Chemical Name	1-fluoro-3-methanesulfonylbenzene
IUPAC Name	1-fluoro-3-methylsulfonylbenzene
InChI	InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key	JTKXOVHBLURUOP-UHFFFAOYSA-N
MDL Number	MFCD11519068
Molecular Formula	C7H7FO2S
Molecular Weight	174.1927
SMILES	CS(=O)(=O)C1=CC=CC(F)=C1
Synonyms	1-FLUORO-3-(METHYLSULFONYL)BENZENE, 657-46-5, 3-Fluorophenyl methyl sulfone, PubChem10829, 3-fluorophenyl methylsulfone, Methyl m-fluorophenyl sulfone, SCHEMBL775429, CTK7C2109, DTXSID70617447, 1-fluoro-3-methylsulfonyl-benzene, JTKXOVHBLURUOP-UHFFFAOYSA-N, 1-fluoro-3-(methyl)sulfonylbenzene, 0090AC, 1-Fluoro-3-(methanesulfonyl)benzene, 1-fluoro-3-(methylsulfonyl)-benzene, ANW-71099, MFCD11519068, ZINC44563618, AKOS006324282, DS-4275, Benzene, 1-fluoro-3-(methylsulfonyl)-, AK104675, AN-47127, AJ-109823, DB-073658, TC-159844, FT-0736139, 3-Fluorophenylmethylsulfone, C7H7FO2S, A11703,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.189g/mol
Monoisotopic Mass	174.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^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	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number