Cas no 400776-47-8 (2-(2-chloropyridin-4-yl)thiazole-4-carboxylic acid)
400776-47-8 structure
Product Name:2-(2-chloropyridin-4-yl)thiazole-4-carboxylic acid
CAS No:400776-47-8
MF:C9H5ClN2O2S
MW:240.666199445724
CID:2120974
PubChem ID:83298234
Update Time:2025-04-21
2-(2-chloropyridin-4-yl)thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(2-chloropyridin-4-yl)thiazole-4-carboxylic acid
- 400776-47-8
- DA-06152
-
- Inchi： 1S/C9H5ClN2O2S/c10-7-3-5(1-2-11-7)8-12-6(4-15-8)9(13)14/h1-4H,(H,13,14)
- InChI Key： XXVCTUUVELRVCN-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)C1=NC(C(=O)O)=CS1
Computed Properties
- Exact Mass: 239.9760263Da
- Monoisotopic Mass: 239.9760263Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2.4
- Topological Polar Surface Area: 91.3?2
2-(2-chloropyridin-4-yl)thiazole-4-carboxylic acid Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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