Cas no 62679-17-8 (Ethanone, 2-(4-methylphenyl)-1-(3-phenyl-5-isoxazolyl)-)
62679-17-8 structure
Product Name:Ethanone, 2-(4-methylphenyl)-1-(3-phenyl-5-isoxazolyl)-
CAS No:62679-17-8
MF:C18H15NO2
MW:277.317204713821
CID:435517
PubChem ID:12332952
Update Time:2025-04-19
Ethanone, 2-(4-methylphenyl)-1-(3-phenyl-5-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 2-(4-methylphenyl)-1-(3-phenyl-5-isoxazolyl)-
- 2-(4-methylphenyl)-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
- 1-(3-Phenylisoxazol-5-yl)-2-(p-tolyl)ethanone
- 62679-17-8
- DTXSID70490858
- 2-(4-Methylphenyl)-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-one
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- Inchi： 1S/C18H15NO2/c1-13-7-9-14(10-8-13)11-17(20)18-12-16(19-21-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
- InChI Key： HBWOIQWZEZUMNJ-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=N1)C(CC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 277.11035
- Monoisotopic Mass: 277.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 343
- 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
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
Ethanone, 2-(4-methylphenyl)-1-(3-phenyl-5-isoxazolyl)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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