Cas no 646522-76-1 (Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester)
646522-76-1 structure
Product Name:Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester
CAS No:646522-76-1
MF:C12H11F3O4S
MW:308.273553133011
CID:419658
PubChem ID:11381278
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Methanesulfonic acid, trifluoro-, 2-(cyclopropylacetyl)phenyl ester
- [2-(2-cyclopropylacetyl)phenyl] trifluoromethanesulfonate
- 646522-76-1
- DTXSID20464180
-
- Inchi： 1S/C12H11F3O4S/c13-12(14,15)20(17,18)19-11-4-2-1-3-9(11)10(16)7-8-5-6-8/h1-4,8H,5-7H2
- InChI Key： YGYXKRDJNAAWLB-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(CC1CC1)=O
Computed Properties
- Exact Mass: 308.03303
- Monoisotopic Mass: 308.03301449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 462
- 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-(cyclopropylacetyl)phenyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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