Cas no 826995-54-4 (Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)-)
![Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/827000/826995-54-4x500.png)
826995-54-4 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)-
CAS No:826995-54-4
MF:C10H4BrF3O2S
MW:325.101771354675
CID:686961
PubChem ID:71417899
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)-
- 6-bromo-3-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
- SCHEMBL16684638
- 826995-54-4
- E74062
- DTXSID70837229
- PJGAVVIJEDQBCB-UHFFFAOYSA-N
- WS-00881
- 6-Bromo-3-(trifluoromethyl)benzo[b]thiophene-2-carboxylic acid
-
- Inchi： 1S/C10H4BrF3O2S/c11-4-1-2-5-6(3-4)17-8(9(15)16)7(5)10(12,13)14/h1-3H,(H,15,16)
- InChI Key： PJGAVVIJEDQBCB-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)SC(C(=O)O)=C2C(F)(F)F
Computed Properties
- Exact Mass: 323.90675g/mol
- Monoisotopic Mass: 323.90675g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 323
- 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: 4.4
- Topological Polar Surface Area: 65.5?2
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-3-(trifluoromethyl)- Related Literature
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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