Cas no 923022-41-7 (Isoquinoline, 7-bromo-6-fluoro-, 2-oxide)
923022-41-7 structure
Product Name:Isoquinoline, 7-bromo-6-fluoro-, 2-oxide
CAS No:923022-41-7
MF:C9H5BrFNO
MW:242.044504880905
CID:753627
PubChem ID:59818251
Update Time:2025-04-19
Isoquinoline, 7-bromo-6-fluoro-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 7-bromo-6-fluoro-, 2-oxide
- 7-bromo-6-fluoro-2-oxidoisoquinolin-2-ium
- SCHEMBL2332668
- KNBITWKHOQIYDQ-UHFFFAOYSA-N
- 7-Bromo-6-fluoro-2-oxo-2lambda~5~-isoquinoline
- 923022-41-7
- 7-Bromo-6-fluoro-isoquinoline 2-oxide
- DTXSID80733081
-
- Inchi： 1S/C9H5BrFNO/c10-8-3-7-5-12(13)2-1-6(7)4-9(8)11/h1-5H
- InChI Key： KNBITWKHOQIYDQ-UHFFFAOYSA-N
- SMILES： BrC1C(=CC2C=C[N+](=CC=2C=1)[O-])F
Computed Properties
- Exact Mass: 240.95385g/mol
- Monoisotopic Mass: 240.95385g/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: 1.9
- Topological Polar Surface Area: 25.5?2
Isoquinoline, 7-bromo-6-fluoro-, 2-oxide Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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