Cas no 50548-48-6 (2-(5-Chloro-1-benzothiophen-2-yl)ethanol)
50548-48-6 structure
Product Name:2-(5-Chloro-1-benzothiophen-2-yl)ethanol
CAS No:50548-48-6
MF:C10H9ClOS
MW:212.695860624313
CID:2150890
Update Time:2023-08-05
2-(5-Chloro-1-benzothiophen-2-yl)ethanol Chemical and Physical Properties
Names and Identifiers
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- 2-(5-chlorobenzo[b]thiophen-2-yl)ethanol
- Benzo[b]thiophene-2-ethanol, 5-chloro-
- 2-(5-Chloro-1-benzothiophen-2-yl)ethanol
-
- Inchi： 1S/C10H9ClOS/c11-8-1-2-10-7(5-8)6-9(13-10)3-4-12/h1-2,5-6,12H,3-4H2
- InChI Key： MFTUBMVRULFRJU-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C=C(CCO)S2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- Topological Polar Surface Area: 48.5
2-(5-Chloro-1-benzothiophen-2-yl)ethanol Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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