Cas no 88474-27-5 (Quinoline, 5-fluoro-8-methyl-, compd. with 2,4,6-trinitrophenol (1:1))
88474-27-5 structure
Product Name:Quinoline, 5-fluoro-8-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No:88474-27-5
MF:C16H11FN4O7
MW:390.279546976089
CID:631328
PubChem ID:71318231
Update Time:2025-04-19
Quinoline, 5-fluoro-8-methyl-, compd. with 2,4,6-trinitrophenol (1:1) Chemical and Physical Properties
Names and Identifiers
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- Quinoline, 5-fluoro-8-methyl-, compd. with 2,4,6-trinitrophenol (1:1)
- 5-fluoro-8-methylquinoline,2,4,6-trinitrophenol
- 2,4,6-Trinitrophenol--5-fluoro-8-methylquinoline (1/1)
- DTXSID10748385
- 88474-27-5
-
- Inchi： 1S/C10H8FN.C6H3N3O7/c1-7-4-5-9(11)8-3-2-6-12-10(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H,1H3;1-2,10H
- InChI Key： ZXRFDALQYZPKNW-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C)C2C1=CC=CN=2.OC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 390.06117686g/mol
- Monoisotopic Mass: 390.06117686g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 452
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 171?2
Quinoline, 5-fluoro-8-methyl-, compd. with 2,4,6-trinitrophenol (1:1) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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