Cas no 53573-22-1 (Isoxazole, 5-(4-bromophenyl)-3-phenyl-)
53573-22-1 structure
Product Name:Isoxazole, 5-(4-bromophenyl)-3-phenyl-
CAS No:53573-22-1
MF:C15H10BrNO
MW:300.15000295639
CID:356952
PubChem ID:835944
Update Time:2025-04-19
Isoxazole, 5-(4-bromophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(4-bromophenyl)-3-phenyl-
- 5-(4-bromophenyl)-3-phenyl-1,2-oxazole
- HMS1674G08
- 5-(4-Bromophenyl)-3-phenylisoxazole
- DTXSID20356874
- AKOS000560391
- 53573-22-1
-
- Inchi： 1S/C15H10BrNO/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H
- InChI Key： ZOBQWQDCDGXWAE-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=CC(C2C=CC=CC=2)=NO1
Computed Properties
- Exact Mass: 298.9946
- Monoisotopic Mass: 298.99458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 4.4
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 5-(4-bromophenyl)-3-phenyl- 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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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