Cas no 1231420-61-3 (Ethyl 4-bromo-3-chlorosulfonylthiophene-2-carboxylate)
1231420-61-3 structure
Product Name:Ethyl 4-bromo-3-chlorosulfonylthiophene-2-carboxylate
CAS No:1231420-61-3
MF:C7H6BrClO4S2
MW:333.607138156891
CID:2130300
Update Time:2023-08-04
Ethyl 4-bromo-3-chlorosulfonylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 4-bromo-3-(chlorosulfonyl)- 2-Thiophenecarboxylic acid ethyl ester
- Ethyl 4-bromo-3-(chlorosulfonyl)thiophene-2-carboxylate
- Ethyl 4-bromo-3-chlorosulfonylthiophene-2-carboxylate
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- Inchi： 1S/C7H6BrClO4S2/c1-2-13-7(10)5-6(15(9,11)12)4(8)3-14-5/h3H,2H2,1H3
- InChI Key： KIYYXFGNJYSPNO-UHFFFAOYSA-N
- SMILES： BrC1=CSC(C(=O)OCC)=C1S(=O)(=O)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 339
- Topological Polar Surface Area: 97.1
Ethyl 4-bromo-3-chlorosulfonylthiophene-2-carboxylate Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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