Cas no 887568-49-2 (4-Bromo-3,6-diiodo (1H)indazole)
887568-49-2 structure
Product Name:4-Bromo-3,6-diiodo (1H)indazole
CAS No:887568-49-2
MF:C7H3BrI2N2
MW:448.825064897537
CID:3152766
PubChem ID:24728489
Update Time:2025-04-21
4-Bromo-3,6-diiodo (1H)indazole Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3,6-diiodo (1H)indazole
- 887568-49-2
- 4-bromo-3,6-diiodo-2H-indazole
- 4-BROMO-3,6-DIIODO-1H-INDAZOLE
-
- Inchi： 1S/C7H3BrI2N2/c8-4-1-3(9)2-5-6(4)7(10)12-11-5/h1-2H,(H,11,12)
- InChI Key： CTIRXWXJBHNNBA-UHFFFAOYSA-N
- SMILES： IC1=C2C(=CC(=CC2=NN1)I)Br
Computed Properties
- Exact Mass: 447.75691Da
- Monoisotopic Mass: 447.75691Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 28.7?2
4-Bromo-3,6-diiodo (1H)indazole Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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