Cas no 1148-87-4 (Isoxazole,5-(4-chlorophenyl)-3-phenyl-)
1148-87-4 structure
Product Name:Isoxazole,5-(4-chlorophenyl)-3-phenyl-
CAS No:1148-87-4
MF:C15H10ClNO
MW:255.699002742767
CID:183925
PubChem ID:279127
Update Time:2025-04-19
Isoxazole,5-(4-chlorophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,5-(4-chlorophenyl)-3-phenyl-
- 5-(4-chlorophenyl)-3-phenyl-1,2-oxazole
- 3-Phenyl-5-(4-chlor-phenyl)-isoxazol
- 3-phenyl-5-(p-chlorophenyl)-isoxazole
- 3-Phenyl-5-(p-chlorphenyl)-isoxazol
- 5-(4'-chlorophenyl)-3-phenylisoxazole
- 5-(4-chlorophenyl)-3-phenylisoxazole
- 5-(4-chloro-phenyl)-3-phenyl-isoxazole
- 5-(4-Chlor-phenyl)-3-phenyl-isoxazol
- 5-(p-Chlorophenyl)-3-phenylisoxazole
- AC1L5PJA
- AC1Q3SHE
- AR-1G5674
- CTK4A8962
- Isoxazole, 5-(p-chlorophenyl)-3-phenyl-
- NSC129404
- DTXSID20299318
- CHEMBL2272004
- 1148-87-4
- 5-(4-Chlorophenyl)-3-phenylisoxazole #
- KRYRJGHZBHLLGM-UHFFFAOYSA-N
- NSC-129404
- Isoxazole, 5-(4-chlorophenyl)-3-phenyl-
-
- Inchi： 1S/C15H10ClNO/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： KRYRJGHZBHLLGM-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CC(C2C=CC=CC=2)=NO1
Computed Properties
- Exact Mass: 255.0452
- Monoisotopic Mass: 255.0450916g/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: 4.3
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
- LogP: 4.66200
Isoxazole,5-(4-chlorophenyl)-3-phenyl- Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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