Cas no 1123190-96-4 (Ethyl (5-chlorothiophen-2-yl)acetate)
1123190-96-4 structure
Product Name:Ethyl (5-chlorothiophen-2-yl)acetate
CAS No:1123190-96-4
MF:C8H9ClO2S
MW:204.673860311508
CID:2116094
Update Time:2023-08-04
Ethyl (5-chlorothiophen-2-yl)acetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(5-chlorothiophen-2-yl)acetate
- OXNCPVPUWJYQRU-UHFFFAOYSA-N
- ethyl (5-chlorothiophen-2-yl)acetate
- Ethyl (5-chlorothiophen-2-yl)acetate
-
- Inchi： 1S/C8H9ClO2S/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4H,2,5H2,1H3
- InChI Key： OXNCPVPUWJYQRU-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(CC(=O)OCC)S1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- Topological Polar Surface Area: 54.5
Ethyl (5-chlorothiophen-2-yl)acetate Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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