Cas no 88491-73-0 (Pyridine, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:2))
88491-73-0 structure
Product Name:Pyridine, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
CAS No:88491-73-0
MF:C18H13N7O12
MW:519.335523366928
CID:630697
PubChem ID:71318342
Update Time:2025-04-19
Pyridine, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
- 3-methylpyridine,1,3,5-trinitrobenzene
- DTXSID20748477
- 88491-73-0
- 1,3,5-Trinitrobenzene--3-methylpyridine (2/1)
-
- Inchi： 1S/2C6H3N3O6.C6H7N/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-6-3-2-4-7-5-6/h2*1-3H;2-5H,1H3
- InChI Key： UBCQXWCTOWALPJ-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(C=1)C
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: 281
- 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, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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