Cas no 93422-80-1 (Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]-)
![Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/93500/93422-80-1x500.png)
93422-80-1 structure
Product Name:Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]-
CAS No:93422-80-1
MF:C6H6ClNO2
MW:159.570340633392
CID:801337
PubChem ID:13296702
Update Time:2025-04-19
Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]-
- 3-acetyl-5-chloromethylisoxazole
- Ethanone, 1-[5-(chloromethyl)-3-isoxazolyl]- (9CI)
- MATCVCVIVRWLPK-UHFFFAOYSA-N
- SCHEMBL1703668
- 1-(5-chloromethyl-isoxazol-3-yl)-ethanone
- 93422-80-1
- 1-(5-(Chloromethyl)isoxazol-3-yl)ethanone
- AKOS006384483
-
- Inchi： 1S/C6H6ClNO2/c1-4(9)6-2-5(3-7)10-8-6/h2H,3H2,1H3
- InChI Key： MATCVCVIVRWLPK-UHFFFAOYSA-N
- SMILES： ClCC1=CC(C(C)=O)=NO1
Computed Properties
- Exact Mass: 159.0087061g/mol
- Monoisotopic Mass: 159.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 0.8
- Topological Polar Surface Area: 43.1?2
Ethanone,1-[5-(chloromethyl)-3-isoxazolyl]- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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