Cas no 314267-83-9 (Benzonitrile,4-(5-isoxazolyl)-)
314267-83-9 structure
Product Name:Benzonitrile,4-(5-isoxazolyl)-
CAS No:314267-83-9
MF:C10H6N2O
MW:170.16744184494
CID:301073
PubChem ID:18517026
Update Time:2025-04-19
Benzonitrile,4-(5-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-(5-isoxazolyl)-
- 4-(1,2-Oxazol-5-yl)benzonitrile
- 4-(5-isopropyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
- 4-(5-isoxazolyl)benzonitrile
- 4-(5-isoxazolyl)-benzonitrile
- 5-ISOPROPYL-3-(PIPERIDIN-4-YL)-1,2,4-OXADIAZOLE HCL
- 5-isopropyl-3-(piperidin-4-yl)-1,2,4-oxadiazole hydrochloride
- SureCN437762
- 4-(isoxazol-5-yl)benzonitrile
- Benzonitrile, 4-(5-isoxazolyl)- (9CI)
- SRPVCXLVJQBLLQ-UHFFFAOYSA-N
- 314267-83-9
- DTXSID401309291
- AKOS006289089
- SCHEMBL6034480
-
- Inchi： 1S/C10H6N2O/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H
- InChI Key： SRPVCXLVJQBLLQ-UHFFFAOYSA-N
- SMILES： O1C(=CC=N1)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 170.04808
- Monoisotopic Mass: 170.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 49.82
Benzonitrile,4-(5-isoxazolyl)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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