Cas no 16238-73-6 ( )
structure
Product Name:
CAS No:16238-73-6
MF:C9H5N3O5
MW:235.153101682663
CID:904670
PubChem ID:85345
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dinitro-1-oxidoquinolin-1-ium
- 4,5-Dinitro-chinolin-1-oxid
- 4,5-Dinitro-chinolin-1-oxyd
- 4,5-Dinitroquinoline 1-oxide
- 4,5-Dinitroquinoline N-oxide
- 4,5-dinitro-quinoline-1-oxide
- AC1L39AC
- AG-E-12224
- CTK0H5491
- NSC265330
- Quinoline,5-dinitro-, 1-oxide
- Quinoline, 4,5-dinitro-, 1-oxide (8CI)(9CI)
- DTXSID60167365
- NSC-265330
- AMS537S566
- CHEMBL3244934
- 16238-73-6
- Quinoline, 4,5-dinitro-, 1-oxide
- 4,5-dinitroquinolin-1-ium-1-olate
- NSC 265330
-
-
- Inchi： 1S/C9H5N3O5/c13-10-5-4-8(12(16)17)9-6(10)2-1-3-7(9)11(14)15/h1-5H
- InChI Key： VJEAOAHNLWAJGZ-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=C2C(=CC=CC=12)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 236.03078
- 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: 1
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 106.36
- LogP: 3.13110
Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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