Cas no 826995-50-0 (Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl-)
![Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl- structure](https://ossimg.kuujia.com/scimg/827000/826995-50-0x500.png)
826995-50-0 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl-
CAS No:826995-50-0
MF:C10H7BrO2S
MW:271.130380868912
CID:686965
PubChem ID:11161567
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl-
- 6-bromo-4-methyl-1-benzothiophene-2-carboxylic acid
- DTXSID70457340
- 826995-50-0
-
- Inchi： 1S/C10H7BrO2S/c1-5-2-6(11)3-8-7(5)4-9(14-8)10(12)13/h2-4H,1H3,(H,12,13)
- InChI Key： UNRHJKVSGNHAES-UHFFFAOYSA-N
- SMILES： BrC1=CC2=C(C=C(C(=O)O)S2)C(C)=C1
Computed Properties
- Exact Mass: 269.93501g/mol
- Monoisotopic Mass: 269.93501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 246
- 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: 3.9
- Topological Polar Surface Area: 65.5?2
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-methyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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