Cas no 1256836-23-3 (4-Thiazolecarboxylic acid, 2-(6-chloro-3-pyridinyl)-)
1256836-23-3 structure
Product Name:4-Thiazolecarboxylic acid, 2-(6-chloro-3-pyridinyl)-
CAS No:1256836-23-3
MF:C9H5ClN2O2S
MW:240.666199445724
CID:2121398
Update Time:2023-08-04
4-Thiazolecarboxylic acid, 2-(6-chloro-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-(6-chloropyridin-3-yl)thiazole-4-carboxylic acid
- 4-Thiazolecarboxylic acid, 2-(6-chloro-3-pyridinyl)-
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- Inchi： 1S/C9H5ClN2O2S/c10-7-2-1-5(3-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
- InChI Key： VRIXLELRWRXIMT-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)C1=NC(C(=O)O)=CS1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 254
- Topological Polar Surface Area: 91.3
4-Thiazolecarboxylic acid, 2-(6-chloro-3-pyridinyl)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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