Cas no 62665-46-7 (1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]-)
![1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/63000/62665-46-7x500.png)
62665-46-7 structure
Product Name:1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]-
CAS No:62665-46-7
MF:C5H4F3NO2S
MW:199.150970458984
CID:436081
PubChem ID:21730933
Update Time:2025-04-19
1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]-
- 2-(trifluoromethylsulfonyl)-1H-pyrrole
- DTXSID60617512
- ACJYKRLNNITCMO-UHFFFAOYSA-N
- 62665-46-7
- (trifluoromethylsulfonyl)pyrrole
- 2-(Trifluoromethanesulfonyl)-1H-pyrrole
- SCHEMBL9249187
-
- Inchi： 1S/C5H4F3NO2S/c6-5(7,8)12(10,11)4-2-1-3-9-4/h1-3,9H
- InChI Key： ACJYKRLNNITCMO-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1=CC=CN1)(=O)=O
Computed Properties
- Exact Mass: 198.99152
- Monoisotopic Mass: 198.99148403g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 1.5
- Topological Polar Surface Area: 58.3?2
Experimental Properties
- PSA: 49.93
1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
62665-46-7 (1H-Pyrrole, 2-[(trifluoromethyl)sulfonyl]-) Related Products
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