Cas no 88491-72-9 (Pyridine, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2))
88491-72-9 structure
Product Name:Pyridine, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
CAS No:88491-72-9
MF:C18H13N7O12
MW:519.335523366928
CID:630698
PubChem ID:71318341
Update Time:2025-04-19
Pyridine, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Chemical and Physical Properties
Names and Identifiers
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- Pyridine, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)
- 2-methylpyridine,1,3,5-trinitrobenzene
- 1,3,5-Trinitrobenzene--2-methylpyridine (2/1)
- 88491-72-9
- DTXSID60748476
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- Inchi: 1S/2C6H3N3O6.C6H7N/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-6-4-2-3-5-7-6/h2*1-3H;2-5H,1H3
- InChI Key: HBOYISXTQWZCBY-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=CC=1C
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, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
88491-72-9 (Pyridine, 2-methyl-, compd. with 1,3,5-trinitrobenzene (1:2)) Related Products
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