Cas no 177735-46-5 (Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester)
177735-46-5 structure
Product Name:Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester
CAS No:177735-46-5
MF:C9H6F3NO3S
MW:265.209051609039
CID:1365165
PubChem ID:22015363
Update Time:2025-04-20
Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester
- 177735-46-5
- Trifluoromethanesulfonic acid 1H-indol-4-yl ester
- ZOYUAHDHSGGDBS-UHFFFAOYSA-N
- SCHEMBL933005
- 1h-indol-4-yl trifluoromethanesulfonate
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- Inchi： 1S/C9H6F3NO3S/c10-9(11,12)17(14,15)16-8-3-1-2-7-6(8)4-5-13-7/h1-5,13H
- InChI Key： ZOYUAHDHSGGDBS-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1=CC=CC2=C1C=CN2
Computed Properties
- Exact Mass: 265.00208
- Monoisotopic Mass: 265.00204871g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- 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: 2.8
- Topological Polar Surface Area: 67.5?2
Experimental Properties
- PSA: 59.16
Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
177735-46-5 (Methanesulfonic acid, trifluoro-, 1H-indol-4-yl ester) Related Products
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