Cas no 889939-01-9 (Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]-)
![Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/890000/889939-01-9x500.png)
889939-01-9 structure
Product Name:Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]-
CAS No:889939-01-9
MF:C11H8ClNO2
MW:221.639721870422
CID:714281
PubChem ID:22831985
Update Time:2025-04-19
Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]-
- 1-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]ethanone
- 5-ACETYL-3(3-CHLOROPHENYL)-ISOXAZOLE
- DTXSID10628552
- A1-04758
- 5-acetyl-3(3-chlorophenyl)isoxazole
- FT-0759655
- 1-[3-(3-Chlorophenyl)-1,2-oxazol-5-yl]ethan-1-one
- 1-(3-(3-Chlorophenyl)isoxazol-5-yl)ethanone
- 889939-01-9
- 1-[3-(3-Chloro-phenyl)-isoxazol-5-yl]-ethanone
-
- Inchi： 1S/C11H8ClNO2/c1-7(14)11-6-10(13-15-11)8-3-2-4-9(12)5-8/h2-6H,1H3
- InChI Key： GSFDUGNICJVPJS-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1C=C(C(C)=O)ON=1
Computed Properties
- Exact Mass: 221.02400
- Monoisotopic Mass: 221.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 2.7
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.10000
- LogP: 3.19760
Ethanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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