Cas no 18457-81-3 (2-Quinoxalinecarbonitrile,1-oxide)
18457-81-3 structure
Product Name:2-Quinoxalinecarbonitrile,1-oxide
CAS No:18457-81-3
MF:C9H5N3O
MW:171.155501127243
CID:123018
PubChem ID:598745
Update Time:2025-04-18
2-Quinoxalinecarbonitrile,1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinoxalinecarbonitrile,1-oxide
- 2-Cyanoquinoxaline 1-oxide
- 2-Quinoxalinecarbonitrile, 1-oxide
- 1-oxidoquinoxalin-1-ium-2-carbonitrile
- 18457-81-3
-
- Inchi： 1S/C9H5N3O/c10-5-7-6-11-8-3-1-2-4-9(8)12(7)13/h1-4,6H
- InChI Key： RLAXSDFNUXEJAZ-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(C#N)=CN=C2C=CC=CC=12
Computed Properties
- Exact Mass: 171.04335
- Monoisotopic Mass: 171.043261791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- 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: 0.3
- Topological Polar Surface Area: 62.1?2
Experimental Properties
- PSA: 63.62
2-Quinoxalinecarbonitrile,1-oxide Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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