Cas no 921197-25-3 (Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester)
![Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/921500/921197-25-3x500.png)
921197-25-3 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester
CAS No:921197-25-3
MF:C11H9NO6S
MW:283.257261991501
CID:754825
PubChem ID:15983108
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester
- ethyl 5,6-dihydroxy-7-nitro-1-benzothiophene-2-carboxylate
- 921197-25-3
- DTXSID40580755
- SCHEMBL1608920
-
- Inchi： 1S/C11H9NO6S/c1-2-18-11(15)7-4-5-3-6(13)9(14)8(12(16)17)10(5)19-7/h3-4,13-14H,2H2,1H3
- InChI Key： BYEZFOYDHIGFRA-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC2C=C(C(=C(C1=2)[N+](=O)[O-])O)O
Computed Properties
- Exact Mass: 283.01505818g/mol
- Monoisotopic Mass: 283.01505818g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 373
- 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: 3.2
- Topological Polar Surface Area: 141?2
Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy-7-nitro-, ethyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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