Cas no 88491-74-1 (Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2))
88491-74-1 structure
Product Name:Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
CAS No:88491-74-1
MF:C18H13N7O12
MW:519.335523366928
CID:630696
PubChem ID:71318343
Update Time:2025-04-19
Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
- 4-methylpyridine,1,3,5-trinitrobenzene
- DTXSID80748478
- 1,3,5-Trinitrobenzene--4-methylpyridine (2/1)
- 88491-74-1
-
- Inchi： 1S/2C6H3N3O6.C6H7N/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-6-2-4-7-5-3-6/h2*1-3H;2-5H,1H3
- InChI Key： HJMIBLGTOGNAOR-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.[O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.N1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 519.06221888g/mol
- Monoisotopic Mass: 519.06221888g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 37
- Rotatable Bond Count: 0
- Complexity: 275
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 288?2
Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
88491-74-1 (Pyridine, 4-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)) Related Products
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