Cas no 126613-08-9 (Methanesulfonic acid, trifluoro-, 1-bromo-2-naphthalenyl ester)
126613-08-9 structure
Product Name:Methanesulfonic acid, trifluoro-, 1-bromo-2-naphthalenyl ester
CAS No:126613-08-9
MF:C11H6BrF3O3S
MW:355.12775182724
CID:1220533
PubChem ID:15311217
Update Time:2025-04-20
Methanesulfonic acid, trifluoro-, 1-bromo-2-naphthalenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 1-bromo-2-naphthalenyl ester
- (1-bromonaphthalen-2-yl) trifluoromethanesulfonate
- 126613-08-9
- COHWGJMHCMOXLL-UHFFFAOYSA-N
- Methanesulfonic acid, 1,1,1-trifluoro-, 1-bromo-2-naphthalenyl ester
- 1-Bromonaphthalen-2-yl trifluoromethanesulfonate
- DTXSID40571264
- SCHEMBL6233321
-
- Inchi： 1S/C11H6BrF3O3S/c12-10-8-4-2-1-3-7(8)5-6-9(10)18-19(16,17)11(13,14)15/h1-6H
- InChI Key： COHWGJMHCMOXLL-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC2C=CC=CC=21)OS(C(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 353.91728
- Monoisotopic Mass: 353.91731g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 418
- 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: 4.6
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Methanesulfonic acid, trifluoro-, 1-bromo-2-naphthalenyl ester Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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