Cas no 88489-66-1 (Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester)
![Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/88500/88489-66-1x500.png)
88489-66-1 structure
Product Name:Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester
CAS No:88489-66-1
MF:C9H7F3O4S
MW:268.209692239761
CID:630801
PubChem ID:15584693
Update Time:2025-04-19
Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester
- methyl 3-(trifluoromethylsulfonyl)benzoate
- Methyl 3-(trifluoromethanesulfonyl)benzoate
- 88489-66-1
- DTXSID80575044
-
- Inchi： 1S/C9H7F3O4S/c1-16-8(13)6-3-2-4-7(5-6)17(14,15)9(10,11)12/h2-5H,1H3
- InChI Key： AUEAVKKDWRLNKJ-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC=C(C(=O)OC)C=1)(=O)=O
Computed Properties
- Exact Mass: 268.00171436g/mol
- Monoisotopic Mass: 268.00171436g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 382
- 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: 2.2
- Topological Polar Surface Area: 68.8?2
Benzoic acid, 3-[(trifluoromethyl)sulfonyl]-, methyl ester Related Literature
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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