Cas no 6667-11-4 (3,3'-Biisoxazole,5,5'-diphenyl-)
6667-11-4 structure
Product Name:3,3'-Biisoxazole,5,5'-diphenyl-
CAS No:6667-11-4
MF:C18H12N2O2
MW:288.300084114075
CID:520609
PubChem ID:290588
Update Time:2025-04-19
3,3'-Biisoxazole,5,5'-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,3'-Biisoxazole,5,5'-diphenyl-
- 5,5'-diphenyl-[3,3']biisoxazolyl
- 5,5'-diphenyl-3,3'-bi-1,2-oxazole
- 5,5'-Diphenyl-3,3'-bi-isoxazolyl
- 5,5'-diphenyl-3,3'-bisisoxazole
- 5,5'-Diphenyl-3,3'-di-isoxazol
- AC1L6E2T
- AC1Q70YD
- CBMicro_014970
- CTK5C5030
- NSC154648
- 6667-11-4
- BIM-0014873.P001
- DTXSID30302847
- 5-phenyl-3-(5-phenyl-1,2-oxazol-3-yl)-1,2-oxazole
- MLS003106409
- SMR000069214
- SMSF0005281
- 5,5'-diphenyl-3,3'-biisoxazole
- AKOS024350375
- CB14219
- CHEMBL1874269
- NSC-154648
-
- Inchi： 1S/C18H12N2O2/c1-3-7-13(8-4-1)17-11-15(19-21-17)16-12-18(22-20-16)14-9-5-2-6-10-14/h1-12H
- InChI Key： WPBCLKSIFZSWOM-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=C(C3C=CC=CC=3)ON=2)=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 288.08996
- Monoisotopic Mass: 288.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 319
- 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: 3.8
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- Density: 1.214
- Boiling Point: 518.5°C at 760 mmHg
- Flash Point: 273.3°C
- Refractive Index: 1.596
- PSA: 52.06
3,3'-Biisoxazole,5,5'-diphenyl- Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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