Cas no 80841-09-4 (Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester)
80841-09-4 structure
Product Name:Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester
CAS No:80841-09-4
MF:C10H11F3O3S
MW:268.252752542496
CID:704961
PubChem ID:19360552
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester
- (3-propan-2-ylphenyl) trifluoromethanesulfonate
- DTXSID30598349
- MDZUBIFFXUJCKF-UHFFFAOYSA-N
- m-isopropylphenol trifluoromethanesulfonate
- 3-(Propan-2-yl)phenyl trifluoromethanesulfonate
- SCHEMBL8007159
- 80841-09-4
-
- Inchi： 1S/C10H11F3O3S/c1-7(2)8-4-3-5-9(6-8)16-17(14,15)10(11,12)13/h3-7H,1-2H3
- InChI Key： MDZUBIFFXUJCKF-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1=CC=CC(=C1)C(C)C
Computed Properties
- Exact Mass: 268.03809987g/mol
- Monoisotopic Mass: 268.03809987g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 343
- 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: 3.8
- Topological Polar Surface Area: 51.8?2
Methanesulfonic acid, trifluoro-, 3-(1-methylethyl)phenyl ester Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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