Cas no 432-86-0 (Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]-)
![Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]- structure](https://ossimg.kuujia.com/scimg/500/432-86-0x500.png)
432-86-0 structure
Product Name:Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]-
CAS No:432-86-0
MF:C9H7F3O3S
MW:252.210292100906
CID:1515595
PubChem ID:85822837
Update Time:2025-04-21
Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]-
- 1-(4-trifluoromethanesulfonyl-phenyl)-ethanone
- 432-86-0
- 1-(4-(Trifluoromethylsulfonyl)phenyl)ethanone
- DB-225677
- 1-(4-trifluoromethanesulfonylphenyl)ethan-1-one
- AQAGYPGQGCDZEW-UHFFFAOYSA-N
-
- Inchi： 1S/C9H7F3O3S/c1-6(13)7-2-4-8(5-3-7)16(14,15)9(10,11)12/h2-5H,1H3
- InChI Key： AQAGYPGQGCDZEW-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC(C(C)=O)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 252.00681
- Monoisotopic Mass: 252.00679974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 358
- 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: 2.1
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
Ethanone, 1-[4-[(trifluoromethyl)sulfonyl]phenyl]- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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