Cas no 887568-43-6 (4,6-Dibromo-3-iodo (1H)indazole)
887568-43-6 structure
Product Name:4,6-Dibromo-3-iodo (1H)indazole
CAS No:887568-43-6
MF:C7H3Br2IN2
MW:401.824591875076
CID:3152770
PubChem ID:24728486
Update Time:2025-04-21
4,6-Dibromo-3-iodo (1H)indazole Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dibromo-3-iodo (1H)indazole
- 4,6-DIBROMO-3-IODO-1H-INDAZOLE
- 887568-43-6
- 4,6-dibromo-3-iodo-2H-indazole
-
- Inchi： 1S/C7H3Br2IN2/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H,11,12)
- InChI Key： MEURQKQMBQEGFN-UHFFFAOYSA-N
- SMILES： IC1=C2C(=CC(=CC2=NN1)Br)Br
Computed Properties
- Exact Mass: 401.76872Da
- Monoisotopic Mass: 399.77077Da
- 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
4,6-Dibromo-3-iodo (1H)indazole Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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