Cas no 201851-06-1 (3-tert-butylphenyl trifluoromethanesulfonate)
201851-06-1 structure
Product Name:3-tert-butylphenyl trifluoromethanesulfonate
CAS No:201851-06-1
MF:C11H13F3O3S
MW:282.279332876205
CID:2123282
PubChem ID:22261847
Update Time:2025-04-21
3-tert-butylphenyl trifluoromethanesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 3-tert-butylphenyl trifluoromethanesulfonate
- 3-tert-Butylphenyl trifluoromethane sulfonate
- trifluoromethanesulfonic acid 3-tert-butyl-phenyl ester
- trifluoromethanesulfonic acid, 3-tert-butyl-phenyl ester
- HS-7513
- 201851-06-1
- SCHEMBL2349455
- trifluoromethanesulfonic acid, 3-tertbutyl-phenyl ester
- Trifluoro-methanesulfonic acid 3-tert-butyl-phenyl ester
- m-tert-Butylphenyl trifluoromethanesulfonate
- DB-294489
-
- Inchi： 1S/C11H13F3O3S/c1-10(2,3)8-5-4-6-9(7-8)17-18(15,16)11(12,13)14/h4-7H,1-3H3
- InChI Key： QNAXXQCFQHHYTO-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1=CC=CC(=C1)C(C)(C)C
Computed Properties
- Exact Mass: 282.05374993Da
- Monoisotopic Mass: 282.05374993Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- 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: 4.3
- Topological Polar Surface Area: 51.8?2
3-tert-butylphenyl trifluoromethanesulfonate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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