Cas no 62679-18-9 (Ethanone, 2-(4-chlorophenyl)-1-(3-phenyl-5-isoxazolyl)-)
62679-18-9 structure
Product Name:Ethanone, 2-(4-chlorophenyl)-1-(3-phenyl-5-isoxazolyl)-
CAS No:62679-18-9
MF:C17H12ClNO2
MW:297.735683441162
CID:435516
PubChem ID:12332953
Update Time:2025-04-19
Ethanone, 2-(4-chlorophenyl)-1-(3-phenyl-5-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-(4-chlorophenyl)-1-(3-phenyl-5-isoxazolyl)-
- 2-(4-chlorophenyl)-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
- 2-(4-Chlorophenyl)-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-one
- 2-(4-Chlorophenyl)-1-(3-phenylisoxazol-5-yl)ethanone
- 62679-18-9
- DTXSID30490859
-
- Inchi： 1S/C17H12ClNO2/c18-14-8-6-12(7-9-14)10-16(20)17-11-15(19-21-17)13-4-2-1-3-5-13/h1-9,11H,10H2
- InChI Key： SJAWSHGZAXLJGI-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CC(C1=CC(C2C=CC=CC=2)=NO1)=O
Computed Properties
- Exact Mass: 297.05576
- Monoisotopic Mass: 297.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 349
- 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: 43.1?2
Experimental Properties
- PSA: 43.1
Ethanone, 2-(4-chlorophenyl)-1-(3-phenyl-5-isoxazolyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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