Cas no 17266-29-4 (Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester)
![Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/17500/17266-29-4x500.png)
17266-29-4 structure
Product Name:Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester
CAS No:17266-29-4
MF:C12H11ClO2S
MW:254.732541322708
CID:1355351
PubChem ID:23614457
Update Time:2025-04-20
Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester
- ethyl α-(5-chloro-3-benzothienyl)acetate
- ethyl(5-chloro-1-benzothiophene-3-yl)acetate
- 17266-29-4
- VRFAUHIFERJEHE-UHFFFAOYSA-N
- benzo[b]thiophene-3-acetic acid,5-chloro-,ethyl ester
-
- Inchi： 1S/C12H11ClO2S/c1-2-15-12(14)5-8-7-16-11-4-3-9(13)6-10(8)11/h3-4,6-7H,2,5H2,1H3
- InChI Key： VRFAUHIFERJEHE-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(=CS2)CC(=O)OCC
Computed Properties
- Exact Mass: 254.01693
- Monoisotopic Mass: 254.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 259
- 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: 3.7
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
Benzo[b]thiophene-3-acetic acid, 5-chloro-, ethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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