Cas no 62913-21-7 (Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester)
62913-21-7 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester
CAS No:62913-21-7
MF:C11H9BrO3S
MW:301.156361341476
CID:2789249
PubChem ID:673236
Update Time:2025-04-21
Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester
- DTXSID30350080
- 62913-21-7
- AKOS024274416
-
- Inchi: 1S/C11H9BrO3S/c1-14-6-3-4-8-7(5-6)9(12)10(16-8)11(13)15-2/h3-5H,1-2H3
- InChI Key: MGPNEMFXUBLBIR-UHFFFAOYSA-N
- SMILES: BrC1=C(C(=O)OC)SC2C=CC(=CC=21)OC
Computed Properties
- Exact Mass: 299.94558Da
- Monoisotopic Mass: 299.94558Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 274
- 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: 3.8
- Topological Polar Surface Area: 63.8?2
Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
62913-21-7 (Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester) Related Products
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