Cas no 651021-76-0 (Isoxazole, 5-(3-chlorophenyl)-3-(4-chlorophenyl)-)
651021-76-0 structure
Product Name:Isoxazole, 5-(3-chlorophenyl)-3-(4-chlorophenyl)-
CAS No:651021-76-0
MF:C15H9Cl2NO
MW:290.144061803818
CID:407905
PubChem ID:11022591
Update Time:2025-04-19
Isoxazole, 5-(3-chlorophenyl)-3-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 5-(3-chlorophenyl)-3-(4-chlorophenyl)-
- 5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-oxazole
- 5-(3-Chlorophenyl)-3-(4-chlorophenyl)isoxazole
- 651021-76-0
- DTXSID30452295
-
- Inchi： 1S/C15H9Cl2NO/c16-12-6-4-10(5-7-12)14-9-15(19-18-14)11-2-1-3-13(17)8-11/h1-9H
- InChI Key： RSSLZCXXWHYXFO-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1=CC(C2C=CC(=CC=2)Cl)=NO1
Computed Properties
- Exact Mass: 289.00627
- Monoisotopic Mass: 289.0061193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 294
- 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: 4.9
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 5-(3-chlorophenyl)-3-(4-chlorophenyl)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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