Cas no 646522-79-4 (Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester)
646522-79-4 structure
Product Name:Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester
CAS No:646522-79-4
MF:C13H13F3O4S
MW:322.300133466721
CID:419657
PubChem ID:11174678
Update Time:2025-04-19
Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester
- [2-(cyclopentanecarbonyl)phenyl] trifluoromethanesulfonate
- 646522-79-4
- DTXSID80457750
-
- Inchi： 1S/C13H13F3O4S/c14-13(15,16)21(18,19)20-11-8-4-3-7-10(11)12(17)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
- InChI Key： GMKPUZYREWOMAC-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC=CC=1C(C1CCCC1)=O
Computed Properties
- Exact Mass: 322.04869
- Monoisotopic Mass: 322.04866455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 475
- 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: 3.9
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 60.44
Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
646522-79-4 (Methanesulfonic acid, trifluoro-, 2-(cyclopentylcarbonyl)phenyl ester) Related Products
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