Cas no 647026-45-7 (Ethanone, 2-(acetyloxy)-1-(3-chloro-4-methoxyphenyl)-)
647026-45-7 structure
Product Name:Ethanone, 2-(acetyloxy)-1-(3-chloro-4-methoxyphenyl)-
CAS No:647026-45-7
MF:C11H11ClO4
MW:242.655642747879
CID:418049
PubChem ID:71379006
Update Time:2025-04-19
Ethanone, 2-(acetyloxy)-1-(3-chloro-4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 2-(acetyloxy)-1-(3-chloro-4-methoxyphenyl)-
- [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] acetate
- 647026-45-7
- 2-(3-Chloro-4-methoxyphenyl)-2-oxoethyl acetate
- DTXSID00801599
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- Inchi： 1S/C11H11ClO4/c1-7(13)16-6-10(14)8-3-4-11(15-2)9(12)5-8/h3-5H,6H2,1-2H3
- InChI Key： NCGVRLIMKBBMOL-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C(COC(C)=O)=O)OC
Computed Properties
- Exact Mass: 242.03463
- Monoisotopic Mass: 242.0345865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 267
- 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: 2.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Ethanone, 2-(acetyloxy)-1-(3-chloro-4-methoxyphenyl)- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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