Cas no 175840-02-5 (Methanesulfonic acid, trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester)
175840-02-5 structure
Product Name:Methanesulfonic acid, trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester
CAS No:175840-02-5
MF:C10H7F3O4S
MW:280.220392465591
CID:1368285
Update Time:2024-08-17
Methanesulfonic acid, trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester Chemical and Physical Properties
Names and Identifiers
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- Methanesulfonic acid, trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester
- 3‐OXO‐2,3‐DIHYDRO‐1H‐INDEN‐5‐YL TRIFLUOROMETHANESULFONATE
- Methanesulfonic acid, 1,1,1-trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester
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- Inchi： 1S/C10H7F3O4S/c11-10(12,13)18(15,16)17-7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5H,2,4H2
- InChI Key： SWTQDGDHQZVFER-UHFFFAOYSA-N
- SMILES： C(F)(F)(F)S(OC1C=CC2=C(C=1)C(=O)CC2)(=O)=O
Computed Properties
- Exact Mass: 280.00171
- Monoisotopic Mass: 280.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 437
- 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
- Topological Polar Surface Area: 68.8A^2
Experimental Properties
- PSA: 60.44
Methanesulfonic acid, trifluoro-, 2,3-dihydro-3-oxo-1H-inden-5-yl ester Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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