Cas no 18457-79-9 (2-Quinolinecarbonitrile, 1-oxide)
18457-79-9 structure
Product Name:2-Quinolinecarbonitrile, 1-oxide
CAS No:18457-79-9
MF:C10H6N2O
MW:170.16744184494
CID:1378986
PubChem ID:592994
Update Time:2025-04-20
2-Quinolinecarbonitrile, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinolinecarbonitrile, 1-oxide
- 2-Cyanoquinoline 1-oxide
- Quinaldonitrile1 1-oxide
- Quinoline-2-carbonitrile 1-oxide
- 1-oxidoquinolin-1-ium-2-carbonitrile
- 18457-79-9
- SCHEMBL1161987
- DTXSID301347208
- Q63396245
- 2-quinolinecarbonitrile 1-oxide
- 2-cyanoquinoline N-oxide
- TQP1197
- 1-oxido-quinolin-1-ium-2-carbonitrile
-
- Inchi： 1S/C10H6N2O/c11-7-9-6-5-8-3-1-2-4-10(8)12(9)13/h1-6H
- InChI Key： YJBFQJVBKTVFOW-UHFFFAOYSA-N
- SMILES： [O-][N+]1C(C#N)=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 170.04808
- Monoisotopic Mass: 170.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 1.2
- Topological Polar Surface Area: 49.2?2
Experimental Properties
- PSA: 50.73
2-Quinolinecarbonitrile, 1-oxide Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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