Cas no 923021-48-1 (Isoquinoline, 7-chloro-6-fluoro-, 2-oxide)
923021-48-1 structure
Product Name:Isoquinoline, 7-chloro-6-fluoro-, 2-oxide
CAS No:923021-48-1
MF:C9H5ClFNO
MW:197.593504667282
CID:753641
PubChem ID:59818254
Update Time:2025-04-19
Isoquinoline, 7-chloro-6-fluoro-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 7-chloro-6-fluoro-, 2-oxide
- 7-chloro-6-fluoro-2-oxidoisoquinolin-2-ium
- 6-Fluoro-7-chloro-isoquinoline-2-oxide
- SCHEMBL1412024
- 7-Chloro-6-fluoro-2-oxo-2lambda~5~-isoquinoline
- 7-Chloro-6-fluoro-isoquinoline 2-oxide
- OQMBJKGORSBEHX-UHFFFAOYSA-N
- DTXSID60733084
- 923021-48-1
-
- Inchi： 1S/C9H5ClFNO/c10-8-3-7-5-12(13)2-1-6(7)4-9(8)11/h1-5H
- InChI Key： OQMBJKGORSBEHX-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2C=C[N+](=CC=2C=1)[O-])F
Computed Properties
- Exact Mass: 197.0043696g/mol
- Monoisotopic Mass: 197.0043696g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 1.8
- Topological Polar Surface Area: 25.5?2
Isoquinoline, 7-chloro-6-fluoro-, 2-oxide Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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