Cas no 10557-77-4 (Isoxazole,4-methyl-3,5-diphenyl-)
10557-77-4 structure
Product Name:Isoxazole,4-methyl-3,5-diphenyl-
CAS No:10557-77-4
MF:C16H13NO
MW:235.280524015427
CID:222753
PubChem ID:318537
Update Time:2025-04-19
Isoxazole,4-methyl-3,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,4-methyl-3,5-diphenyl-
- 4-methyl-3,5-diphenyl-1,2-oxazole
- 2,5-Diphenyl-4-methyl-isoxazol
- 3,5-Diphenyl-4-methyl-1,2-oxazol
- 3,5-Diphenyl-4-methyl-isoxazol
- 3,5-Diphenyl-4-methylisoxazole
- 4-Methyl-3,5-diphenyl-isoxazol
- 4-methyl-3,5-diphenylisoxazole
- 4-methyl-3,5-diphenyl-isoxazole
- AC1L7YBU
- NSC255244
- 10557-77-4
- DTXSID70312485
- NSC-255244
- SCHEMBL21105084
- MCOYCMSBSPWRPU-UHFFFAOYSA-N
- Isoxazole, 4-methyl-3,5-diphenyl-
- 4-Methyl-3,5-diphenylisoxazole #
-
- Inchi： 1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14/h2-11H,1H3
- InChI Key： MCOYCMSBSPWRPU-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 235.09979
- Monoisotopic Mass: 235.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 4.1
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole,4-methyl-3,5-diphenyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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