Cas no 66143-72-4 (Methanesulfonic acid, trifluoro-, hexadecyl ester)
66143-72-4 structure
Product Name:Methanesulfonic acid, trifluoro-, hexadecyl ester
CAS No:66143-72-4
MF:C17H33F3O3S
MW:374.502335309982
CID:1702912
PubChem ID:11014229
Update Time:2025-04-21
Methanesulfonic acid, trifluoro-, hexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, hexadecyl ester
- hexadecyl trifluoromethanesulfonate
- cetyl triflate
- 66143-72-4
- DTXSID30451940
- SCHEMBL6427237
-
- Inchi： 1S/C17H33F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-24(21,22)17(18,19)20/h2-16H2,1H3
- InChI Key： ZDEMAZQQUOEQAA-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 374.21039
- Monoisotopic Mass: 374.21025057g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 376
- 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: 8.6
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Methanesulfonic acid, trifluoro-, hexadecyl ester Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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