Cas no 13198-73-7 (Pyridine, 2-chloro-5-nitro-, 1-oxide)
13198-73-7 structure
Product Name:Pyridine, 2-chloro-5-nitro-, 1-oxide
CAS No:13198-73-7
MF:C5H3ClN2O3
MW:174.541919946671
CID:1229501
PubChem ID:12268594
Update Time:2025-04-20
Pyridine, 2-chloro-5-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-chloro-5-nitro-, 1-oxide
- 2-Chloro-5-nitropyridine-1-oxide
- SCHEMBL7977413
- 2-Chloro-5-nitro-1-oxidopyridin-1-ium
- 13198-73-7
-
- Inchi： 1S/C5H3ClN2O3/c6-5-2-1-4(8(10)11)3-7(5)9/h1-3H
- InChI Key： OWZXTKVLHZMOTL-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=[N+]1[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 173.98329
- Monoisotopic Mass: 173.9832197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 0.6
- Topological Polar Surface Area: 71.3?2
Experimental Properties
- PSA: 70.08
Pyridine, 2-chloro-5-nitro-, 1-oxide Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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