Cas no 61920-55-6 (1H-Indazole, 5-methyl-4,7-dinitro-)
61920-55-6 structure
Product Name:1H-Indazole, 5-methyl-4,7-dinitro-
CAS No:61920-55-6
MF:C8H6N4O4
MW:222.15764093399
CID:463091
PubChem ID:20315835
Update Time:2025-04-19
1H-Indazole, 5-methyl-4,7-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 5-methyl-4,7-dinitro-
- 5-methyl-4,7-dinitro-1H-indazole
- DTXSID40605058
- SCHEMBL11607974
- 61920-55-6
-
- Inchi： 1S/C8H6N4O4/c1-4-2-6(11(13)14)7-5(3-9-10-7)8(4)12(15)16/h2-3H,1H3,(H,9,10)
- InChI Key： CBSCUATTZFOOKP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C)C=C(C2=C1C=NN2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 222.03898
- Monoisotopic Mass: 222.03890469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 312
- 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: 1.6
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 114.96
1H-Indazole, 5-methyl-4,7-dinitro- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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