Cas no 887568-04-9 (3-Bromo-4-fluoro-6-iodoindazole)
887568-04-9 structure
Product Name:3-Bromo-4-fluoro-6-iodoindazole
CAS No:887568-04-9
MF:C7H3BrFIN2
MW:340.918996095657
CID:2619058
PubChem ID:24728453
Update Time:2025-04-21
3-Bromo-4-fluoro-6-iodoindazole Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-4-fluoro-6-iodo-1H-indazole
- 3-BROMO-4-FLUORO-6-IODOINDAZOLE
- DB-204317
- 887568-04-9
- 3-bromo-4-fluoro-6-iodo-2H-indazole
- 3-Bromo-4-fluoro-6-iodoindazole
-
- Inchi: 1S/C7H3BrFIN2/c8-7-6-4(9)1-3(10)2-5(6)11-12-7/h1-2H,(H,11,12)
- InChI Key: PFPNLVZVWWTRMH-UHFFFAOYSA-N
- SMILES: IC1C=C(C2=C(NN=C2C=1)Br)F
Computed Properties
- Exact Mass: 339.85084Da
- Monoisotopic Mass: 339.85084Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 3.3
- Topological Polar Surface Area: 28.7?2
3-Bromo-4-fluoro-6-iodoindazole Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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