Cas no 13382-68-8 (3-chloro-4-(2-thienyl)benzoic acid)
13382-68-8 structure
Product Name:3-chloro-4-(2-thienyl)benzoic acid
CAS No:13382-68-8
MF:C11H7ClO2S
MW:238.690080881119
CID:2113569
Update Time:2023-11-19
3-chloro-4-(2-thienyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-chloro-4-(2-thienyl)Benzoic acid
- 3-chloro-4-(thiophen-2-yl)benzoic acid
- CID 81307284
- 3-chloro-4-(2-thienyl)benzoic acid
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- Inchi： 1S/C11H7ClO2S/c12-9-6-7(11(13)14)3-4-8(9)10-2-1-5-15-10/h1-6H,(H,13,14)
- InChI Key： TXUMVMKCGZPVCW-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=CC=1C1=CC=CS1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 247
- Topological Polar Surface Area: 65.5
3-chloro-4-(2-thienyl)benzoic acid Related Literature
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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