Cas no 65018-22-6 (4,4'-Biisoxazole, 5,5'-dimethyl-3,3'-diphenyl-)
65018-22-6 structure
Product Name:4,4'-Biisoxazole, 5,5'-dimethyl-3,3'-diphenyl-
CAS No:65018-22-6
MF:C20H16N2O2
MW:316.353244781494
CID:409473
PubChem ID:12366455
Update Time:2025-04-19
4,4'-Biisoxazole, 5,5'-dimethyl-3,3'-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-Biisoxazole, 5,5'-dimethyl-3,3'-diphenyl-
- 5-methyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-phenyl-1,2-oxazole
- DTXSID90494515
- 65018-22-6
- 5,5'-Dimethyl-3,3'-diphenyl-4,4'-bi-1,2-oxazole
-
- Inchi： 1S/C20H16N2O2/c1-13-17(19(21-23-13)15-9-5-3-6-10-15)18-14(2)24-22-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3
- InChI Key： YNVSJPOLEDKLEW-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C2C=CC=CC=2)=N1)C1=C(C)ON=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 316.12128
- Monoisotopic Mass: 316.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 368
- 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: 4.6
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.06
4,4'-Biisoxazole, 5,5'-dimethyl-3,3'-diphenyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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