Cas no 552849-20-4 (Dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate)
552849-20-4 structure
Product Name:Dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate
CAS No:552849-20-4
MF:C7H6BrNO4S
MW:280.095839977264
CID:943665
Update Time:2023-08-02
Dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- 4,5-Thiazoledicarboxylicacid,2-bromo-,dimethylester(9CI)
- dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate
- 4,5-thiazoledicarboxylic acid,2-bromo-,dimethyl ester
- Dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate
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- Inchi： 1S/C7H6BrNO4S/c1-12-5(10)3-4(6(11)13-2)14-7(8)9-3/h1-2H3
- InChI Key： ZXDKRVXCVKARIY-UHFFFAOYSA-N
- SMILES： BrC1=NC(C(=O)OC)=C(C(=O)OC)S1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 250
- Topological Polar Surface Area: 93.7
Dimethyl 2-bromo-1,3-thiazole-4,5-dicarboxylate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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