Cas no 646522-74-9 (Methanesulfonic acid, trifluoro-, 2-(1-oxopropyl)phenyl ester)
646522-74-9 structure
Product Name:Methanesulfonic acid, trifluoro-, 2-(1-oxopropyl)phenyl ester
CAS No:646522-74-9
MF:C10H9F3O4S
MW:282.236272573471
CID:419659
PubChem ID:11448916
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 2-(1-oxopropyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 2-(1-oxopropyl)phenyl ester
- (2-propanoylphenyl) trifluoromethanesulfonate
- ZGLRFEATIYLONZ-UHFFFAOYSA-N
- DTXSID60466264
- SCHEMBL14065615
- 646522-74-9
-
- Inchi： 1S/C10H9F3O4S/c1-2-8(14)7-5-3-4-6-9(7)17-18(15,16)10(11,12)13/h3-6H,2H2,1H3
- InChI Key： ZGLRFEATIYLONZ-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(CC)=O
Computed Properties
- Exact Mass: 282.01737
- Monoisotopic Mass: 282.01736442g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 396
- 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: 2.8
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 60.44
Methanesulfonic acid, trifluoro-, 2-(1-oxopropyl)phenyl ester Related Literature
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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