Cas no 50333-55-6 (Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)-)
50333-55-6 structure
Product Name:Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)-
CAS No:50333-55-6
MF:C28H28N2O2
MW:424.534127235413
CID:1565135
PubChem ID:20583932
Update Time:2025-04-21
Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 5-tert-butyl-2-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
- SCHEMBL14947174
- DTXSID10608950
- 2,2'-(1,4-Phenylene)bis(5-tert-butyl-1,3-benzoxazole)
- 50333-55-6
- Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)-
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- Inchi： 1S/C28H28N2O2/c1-27(2,3)19-11-13-23-21(15-19)29-25(31-23)17-7-9-18(10-8-17)26-30-22-16-20(28(4,5)6)12-14-24(22)32-26/h7-16H,1-6H3
- InChI Key： GTQPKYAAZMYOTH-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2)C2=NC3=C(C=CC(=C3)C(C)(C)C)O2)=NC2=C1C=CC(=C2)C(C)(C)C
Computed Properties
- Exact Mass: 424.21524
- Monoisotopic Mass: 424.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 589
- 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: 8.3
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.06
Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
50333-55-6 (Benzoxazole, 2,2'-(1,4-phenylene)bis[5-(1,1-dimethylethyl)-) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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