Cas no 1253201-95-4 (5-Bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester)
1253201-95-4 structure
Product Name:5-Bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester
CAS No:1253201-95-4
MF:C12H10BrNO2S
MW:312.182301044464
CID:2144945
Update Time:2023-08-04
5-Bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester
- 5-Bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester
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- Inchi： 1S/C12H10BrNO2S/c1-2-16-12(15)11-14-9(10(13)17-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key： OLFPEDRHWRXIOL-UHFFFAOYSA-N
- SMILES： BrC1=C(C2C=CC=CC=2)N=C(C(=O)OCC)S1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 271
- Topological Polar Surface Area: 67.4
5-Bromo-4-phenyl-thiazole-2-carboxylic acid ethyl ester Related Literature
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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