Cas no 646522-83-0 (Methanesulfonic acid, trifluoro-, 2-(2-methyl-1-oxopropyl)phenyl ester)
646522-83-0 structure
Product Name:Methanesulfonic acid, trifluoro-, 2-(2-methyl-1-oxopropyl)phenyl ester
CAS No:646522-83-0
MF:C11H11F3O4S
MW:296.262852907181
CID:419653
PubChem ID:12122368
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 2-(2-methyl-1-oxopropyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 2-(2-methyl-1-oxopropyl)phenyl ester
- [2-(2-methylpropanoyl)phenyl] trifluoromethanesulfonate
- DTXSID00478003
- 646522-83-0
-
- Inchi： 1S/C11H11F3O4S/c1-7(2)10(15)8-5-3-4-6-9(8)18-19(16,17)11(12,13)14/h3-7H,1-2H3
- InChI Key： YDTPRASXRYAPQT-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(C(C)C)=O
Computed Properties
- Exact Mass: 296.03303
- Monoisotopic Mass: 296.03301449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 422
- 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: 3.4
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 60.44
Methanesulfonic acid, trifluoro-, 2-(2-methyl-1-oxopropyl)phenyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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