Cas no 887568-05-0 (3,6-Diiodo-4-fluoroindazole)
3,6-Diiodo-4-fluoroindazole structure
Product Name:3,6-Diiodo-4-fluoroindazole
CAS No:887568-05-0
MF:C7H3FI2N2
MW:387.919469118118
CID:3152750
PubChem ID:24728454
Update Time:2025-04-21
3,6-Diiodo-4-fluoroindazole Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Diiodo-4-fluoroindazole
- DTXSID701303323
- 887568-05-0
- 4-Fluoro-3,6-diiodo-1H-indazole
- 4-fluoro-3,6-diiodo-2H-indazole
- DB-183029
-
- Inchi： 1S/C7H3FI2N2/c8-4-1-3(9)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)
- InChI Key： SYCCUMICDYLBLX-UHFFFAOYSA-N
- SMILES： IC1=C2C(=CC(=CC2=NN1)I)F
Computed Properties
- Exact Mass: 387.837
- Monoisotopic Mass: 387.837
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 181
- 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
- Topological Polar Surface Area: 28.7A^2
- XLogP3: 3
3,6-Diiodo-4-fluoroindazole Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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