Cas no 828270-63-9 (Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)-)
828270-63-9 structure
Product Name:Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)-
CAS No:828270-63-9
MF:C8H9FO2S
MW:188.219264745712
CID:681584
PubChem ID:21575241
Update Time:2025-04-19
Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)-
- 2-fluoro-4-methyl-1-methylsulfonylbenzene
- SCHEMBL11995566
- 828270-63-9
- 2-Fluoro-1-(methanesulfonyl)-4-methylbenzene
- DTXSID60615992
-
- Inchi： 1S/C8H9FO2S/c1-6-3-4-8(7(9)5-6)12(2,10)11/h3-5H,1-2H3
- InChI Key： GHLKMUFOKGPMRY-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C)=CC=1F)(=O)=O
Computed Properties
- Exact Mass: 188.03072886g/mol
- Monoisotopic Mass: 188.03072886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 42.5?2
Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
828270-63-9 (Benzene, 2-fluoro-4-methyl-1-(methylsulfonyl)-) Related Products
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