Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)
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![Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9c07e7ac9c60451fb5fae04b0e27572f.png "Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)")
Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)
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CAS No:
616238-78-9
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Formula:
C10H9NO2S
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Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)
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Synonyms:
Methyl 7-aminobenzo[b]thiophene-2-carboxylate;Methyl 7-amino-1-benzothiophene-2-carboxylate;Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI);SCHEMBL3258140;CTK2F1951;DTXSID10666535;ZINC39086987;AKOS022189528;DS-9249;AK149987
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CAS No:
Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI) Basic Attributes
207.24896
207.035
DTXSID10666535
2934999090
Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI) Use and Manufacturing
To a mixture of 7-nitro-benzo[b]thiophene-2-carboxylic acid methyl ester (100 mg) in acetic acid (4 mL) was added a solution of SnC7-Nitro-benzo[b]thiophene-2-carboxylic acid methyl ester (1 g, 4.22 mmol) was suspended in EtOAc (40 mL) and a suspension of 10percent Pd/C (400 mg) in 20 mL EtOAc was added.
Computed Properties
Molecular Weight:207.25
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:207.03539970
Monoisotopic Mass:207.03539970
Topological Polar Surface Area:80.6
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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