Cas no 31108-56-2 (Isoxazole, 3-(4-nitrophenyl)-5-phenyl-)
31108-56-2 structure
Product Name:Isoxazole, 3-(4-nitrophenyl)-5-phenyl-
CAS No:31108-56-2
MF:C15H10N2O3
MW:266.25150346756
CID:1445432
PubChem ID:571277
Update Time:2025-04-20
Isoxazole, 3-(4-nitrophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3-(4-nitrophenyl)-5-phenyl-
- 3-(4-nitrophenyl)-5-phenyl-1,2-oxazole
- 31108-56-2
- DXYFHYLEXIXGQV-UHFFFAOYSA-N
- 3-{p-nitrophenyl)-5-phenylisoxazole
- SCHEMBL17084384
- 3-(4-Nitrophenyl)-5-phenylisoxazole
- DTXSID70341230
- 3-(4-Nitrophenyl)-5-phenylisoxazole #
- Isoxazole, 3-(p-nitrophenyl)-5-phenyl-
-
- Inchi： 1S/C15H10N2O3/c18-17(19)13-8-6-11(7-9-13)14-10-15(20-16-14)12-4-2-1-3-5-12/h1-10H
- InChI Key： DXYFHYLEXIXGQV-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC(=CC=2)[N+](=O)[O-])=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 266.0692
- Monoisotopic Mass: 266.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 3.5
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 69.17
Isoxazole, 3-(4-nitrophenyl)-5-phenyl- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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