Cas no 66912-26-3 (Benzonitrile, 2-nitro-, N-oxide)
66912-26-3 structure
Product Name:Benzonitrile, 2-nitro-, N-oxide
CAS No:66912-26-3
MF:C7H4N2O3
MW:164.11826133728
CID:395566
PubChem ID:11816040
Update Time:2025-04-19
Benzonitrile, 2-nitro-, N-oxide Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-nitro-, N-oxide
- 2-nitrobenzonitrile oxide
- 2-nitro-benzonitrile oxide
- 66912-26-3
- DTXSID50473447
- SCHEMBL2246067
-
- Inchi： 1S/C7H4N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-4H
- InChI Key： JCGIMQGFRHFZJH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1C#[N+][O-])=O
Computed Properties
- Exact Mass: 164.02222
- Monoisotopic Mass: 164.02219199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 0.5
- Topological Polar Surface Area: 76.5?2
Experimental Properties
- PSA: 70.56
Benzonitrile, 2-nitro-, N-oxide Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
66912-26-3 (Benzonitrile, 2-nitro-, N-oxide) Related Products
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- 4110-33-2(2,4-Dinitrobenzonitrile)
- 64113-86-6(5-Methyl-2-nitrobenzonitrile)
- 1885-77-4(3-Methyl-2-nitro-benzonitrile3-cyano-2-nitrotoluene)
- 72115-08-3(3-Cyano-4-nitroaniline)
- 96784-54-2(3-Methyl-4-nitrobenzonitrile)
- 612-24-8(2-Nitrobenzonitrile)
- 35213-00-4(2,6-Dinitrobenzonitrile)
- 63365-23-1(2-Amino-6-nitrobenzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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