Cas no 65004-20-8 (1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-phenyl-)
65004-20-8 structure
Product Name:1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-phenyl-
CAS No:65004-20-8
MF:C14H9BrN2O
MW:301.138062238693
CID:409515
PubChem ID:877112
Update Time:2025-04-19
1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-phenyl-
- 5-(4-bromophenyl)-3-phenyl-1,2,4-oxadiazole
- AKOS003338045
- NCGC00327201-01
- BDBM50094266
- SCHEMBL2810636
- AB00100525-01
- DivK1c_006036
- BIM-0036558.P001
- 65004-20-8
- CBMicro_036740
- CHEMBL3589972
- AB00100525-03
- CDS1_004996
- DTXSID00358093
-
- Inchi： 1S/C14H9BrN2O/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H
- InChI Key： CMYVEXGSBPBJHS-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=NC(C2C=CC=CC=2)=NO1
Computed Properties
- Exact Mass: 299.98987
- Monoisotopic Mass: 299.98983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 4.2
- Topological Polar Surface Area: 38.9?2
Experimental Properties
- PSA: 38.92
1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-phenyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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