Cas no 828270-64-0 (Benzene, 1-fluoro-3-methyl-2-(methylsulfonyl)-)
828270-64-0 structure
Product Name:Benzene, 1-fluoro-3-methyl-2-(methylsulfonyl)-
CAS No:828270-64-0
MF:C8H9FO2S
MW:188.219264745712
CID:681583
PubChem ID:21575242
Update Time:2025-04-19
Benzene, 1-fluoro-3-methyl-2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-fluoro-3-methyl-2-(methylsulfonyl)-
- 1-fluoro-3-methyl-2-methylsulfonylbenzene
- 1-Fluoro-2-(methanesulfonyl)-3-methylbenzene
- DTXSID20615993
- SCHEMBL17689094
- 828270-64-0
-
- Inchi： 1S/C8H9FO2S/c1-6-4-3-5-7(9)8(6)12(2,10)11/h3-5H,1-2H3
- InChI Key： KFSIEPKBEWIIAY-UHFFFAOYSA-N
- SMILES： S(C)(C1C(=CC=CC=1C)F)(=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, 1-fluoro-3-methyl-2-(methylsulfonyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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