Cas no 13442-17-6 (Quinoline, 4,7-dinitro-, 1-oxide)
13442-17-6 structure
Product Name:Quinoline, 4,7-dinitro-, 1-oxide
CAS No:13442-17-6
MF:C9H5N3O5
MW:235.153101682663
CID:233873
PubChem ID:197142
Update Time:2025-04-19
Quinoline, 4,7-dinitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 4,7-dinitro-, 1-oxide
- 4,7-dinitro-1-oxidoquinolin-1-ium
- 13442-17-6
- BRN 1320840
- 4,7-Dinitroquinoline-1-oxide
- DTXSID60158692
- CHEMBL3244937
-
- Inchi： 1S/C9H5N3O5/c13-10-4-3-8(12(16)17)7-2-1-6(11(14)15)5-9(7)10/h1-5H
- InChI Key： FKWGRIVWGOFXRM-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=C2C=CC(=CC=12)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 235.02295
- Monoisotopic Mass: 235.02292027g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 326
- 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: 0.9
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 113.22
Quinoline, 4,7-dinitro-, 1-oxide Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
13442-17-6 (Quinoline, 4,7-dinitro-, 1-oxide) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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