Cas no 828270-65-1 (Benzene, 1-fluoro-4-methyl-2-(methylsulfonyl)-)
828270-65-1 structure
Product Name:Benzene, 1-fluoro-4-methyl-2-(methylsulfonyl)-
CAS No:828270-65-1
MF:C8H9FO2S
MW:188.219264745712
CID:681582
PubChem ID:21575243
Update Time:2025-04-19
Benzene, 1-fluoro-4-methyl-2-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-fluoro-4-methyl-2-(methylsulfonyl)-
- 1-fluoro-4-methyl-2-methylsulfonylbenzene
- VSYXOFJZQHGRIS-UHFFFAOYSA-N
- 828270-65-1
- 1-FLUORO-4-METHYL-2-(METHYLSULFONYL)BENZENE
- SCHEMBL2642188
- DTXSID80615994
- 1-Fluoro-2-(methanesulfonyl)-4-methylbenzene
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- Inchi： 1S/C8H9FO2S/c1-6-3-4-7(9)8(5-6)12(2,10)11/h3-5H,1-2H3
- InChI Key： VSYXOFJZQHGRIS-UHFFFAOYSA-N
- SMILES： S(C)(C1C(=CC=C(C)C=1)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-4-methyl-2-(methylsulfonyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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