AG00341J

455-15-2 | 1-Fluoro-4-(methylsulfonyl)benzene

AG00341J

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CAS Number	455-15-2
Catalog Number	AG00341J(AGN-PC-00DKK3)
Chemical Name	1-Fluoro-4-(methylsulfonyl)benzene
EC Number	207-237-0
IUPAC Name	1-fluoro-4-methylsulfonylbenzene
InChI	InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key	DPJHZJGAGIWXTD-UHFFFAOYSA-N
MDL Number	MFCD00039753
Molecular Formula	C7H7FO2S
Molecular Weight	174.1927
NSC Number	226256
SMILES	O=S(C1=CC=C(F)C=C1)(C)=O
Synonyms	4-Fluorophenyl methyl sulfone, 455-15-2, 1-Fluoro-4-(methylsulfonyl)benzene, Benzene, 1-fluoro-4-(methylsulfonyl)-, 1-Fluoro-4-(methylsulphonyl)benzene, 4-fluorophenyl methyl sulphone, 4-Fluorophenylmethylsulfone, Sulfone, p-fluorophenyl methyl, 1-fluoro-4-methanesulfonylbenzene, methyl 4-fluorophenyl sulfone, 1-fluoro-4-methylsulfonyl-benzene, DPJHZJGAGIWXTD-UHFFFAOYSA-N, MFCD00039753, 4-fluoro-1-(methylsulfonyl)benzene, EINECS 207-237-0, NSC226256, PubChem10873, AC1Q6UCR, ACMC-209k2w, 4-fluorophenyl-methylsulfone, 4-fluorophenylmethyl sulfone, AC1L28SQ, 4-flurophenyl methyl sulfone, p-fluorophenyl methyl sulfone, SCHEMBL444872, 4-fluoro-methanesulfonylbenzene, (4-fluorophenyl)methyl sulfone, 1-fluoro-4-methylsulfonylbenzene, CTK3J2396, KS-00000EQI, DTXSID80196531, HMS1729A15, ZINC406916, 1-Fluoro-4-methanesulfonyl-benzene, ACN-S003990, ACT03810, 1-Fluoro-4-(methylsulfonyl)-benzene, 4-Fluorophenyl methyl sulfone, 97%, ANW-30294, SBB088901, 1-Fluoro-4-(methylsulfonyl)benzene #, AKOS001121819, CS-W002183, DS-2855, MCULE-4818653241, NSC-226256, PS-8627, RP23627, RTR-017283, TRA0070106, VZ29111, AC-16492, AJ-22512, AM803929, AN-45012, BP-11605, CJ-04084, I348, SC-44980, SY013818, ZB013683, AB0013638, AB1010841, ST2408779, TL8006878, TR-017283, (4-fluorophenyl)(methyl)dioxo-lambda-sulfane, F0651, FT-0618555, ST45016347, M-9650, MFCD00039753 (97+%), I01-7195, J-515415, InChI=1/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H, C7H7FO2S, C7-H7-F-O2-S, CID67994, AR-1G2357, 4-Fluorophenyl methyl sulfone, 98% - 1G 1g, 4891-15-0,

Complexity	209
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	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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