Cas no 10447-96-8 (4-oxycyanobenzonitrile)
4-oxycyanobenzonitrile structure
Product Name:4-oxycyanobenzonitrile
CAS No:10447-96-8
MF:C8H4N2O
MW:144.1301612854
CID:1144463
PubChem ID:12732775
Update Time:2025-04-20
4-oxycyanobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-oxycyanobenzonitrile
- SCHEMBL2238997
- REDDCKWAMXYDEQ-UHFFFAOYSA-N
- terephthalonitrile oxide
- 10447-96-8
- DTXSID00508399
- 4-cyanobenzonitrile oxide
-
- Inchi： 1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)6-10-11/h1-4H
- InChI Key： REDDCKWAMXYDEQ-UHFFFAOYSA-N
- SMILES： [O-][N+]#CC1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 144.03242
- Monoisotopic Mass: 144.032362755g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 0.4
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 51.21
4-oxycyanobenzonitrile Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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