Cas no 61920-58-9 (1H-Indazole, 5,6-dimethyl-4,7-dinitro-)
61920-58-9 structure
Product Name:1H-Indazole, 5,6-dimethyl-4,7-dinitro-
CAS No:61920-58-9
MF:C9H8N4O4
MW:236.1842212677
CID:463088
PubChem ID:20315836
Update Time:2025-04-19
1H-Indazole, 5,6-dimethyl-4,7-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 5,6-dimethyl-4,7-dinitro-
- 5,6-dimethyl-4,7-dinitro-1H-indazole
- 4,7-dinitro-5,6-dimethylindazole
- DTXSID00605059
- SCHEMBL11604638
- HDTZZBBDLJGAMK-UHFFFAOYSA-N
- 61920-58-9
-
- Inchi： 1S/C9H8N4O4/c1-4-5(2)9(13(16)17)7-6(3-10-11-7)8(4)12(14)15/h3H,1-2H3,(H,10,11)
- InChI Key： HDTZZBBDLJGAMK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C2=C(C=NN2)C(=C(C)C=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 236.05464
- Monoisotopic Mass: 236.05455475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 339
- 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: 1.9
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 114.96
1H-Indazole, 5,6-dimethyl-4,7-dinitro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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