| CAS Number | 2137696-74-1 |
| Catalog Number | AG01EKTR |
| Chemical Name | 4-(dimethylamino)-1-benzothiophene-2-carboxylic acid hydrochloride |
| IUPAC Name | 4-(dimethylamino)-1-benzothiophene-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H11NO2S.ClH/c1-12(2)8-4-3-5-9-7(8)6-10(15-9)11(13)14;/h3-6H,1-2H3,(H,13,14);1H |
| InChI Key | YPGRTMHUDZJNGU-UHFFFAOYSA-N |
| MDL Number | MFCD31457105 |
| Molecular Formula | C11H12ClNO2S |
| Molecular Weight | 257.7365 |
| SMILES | Cl.CN(C1=C2C(SC(C(O)=O)=C2)=CC=C1)C |
| Synonyms | AKOS034086522,
4-(dimethylamino)-1-benzothiophene-2-carboxylic acid hydrochloride,
2137696-74-1,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.732g/mol |
| Monoisotopic Mass | 257.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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