Cas no 55121-98-7 (Quinoline, 4-chloro-7-(trifluoromethyl)-, 1-oxide)
55121-98-7 structure
Product Name:Quinoline, 4-chloro-7-(trifluoromethyl)-, 1-oxide
CAS No:55121-98-7
MF:C10H5ClF3NO
MW:247.601011991501
CID:352768
PubChem ID:23128133
Update Time:2025-04-19
Quinoline, 4-chloro-7-(trifluoromethyl)-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 4-chloro-7-(trifluoromethyl)-, 1-oxide
- 4-chloro-1-oxido-7-(trifluoromethyl)quinolin-1-ium
- 4-Chloro-1-oxo-7-(trifluoromethyl)-1lambda~5~-quinoline
- 4-chloro-7-trifluoromethylquinoline N-oxide
- 4-chloro-7-trifluoromethylquinoline-1-oxide
- 55121-98-7
- SCHEMBL2797388
- DTXSID00630846
-
- Inchi： 1S/C10H5ClF3NO/c11-8-3-4-15(16)9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
- InChI Key： YNBOVSHNZLQXIK-UHFFFAOYSA-N
- SMILES： ClC1C=C[N+](=C2C=C(C(F)(F)F)C=CC2=1)[O-]
Computed Properties
- Exact Mass: 247.00125
- Monoisotopic Mass: 247.0011760g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 261
- 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
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 26.94
Quinoline, 4-chloro-7-(trifluoromethyl)-, 1-oxide Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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