| CAS Number | 1052541-68-0 |
| Catalog Number | AG019NDM |
| Chemical Name | 5-amino-1-benzothiophene-2-carboxylic acid hydrochloride |
| IUPAC Name | 5-amino-1-benzothiophene-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C9H7NO2S.ClH/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12;/h1-4H,10H2,(H,11,12);1H |
| InChI Key | LAFLLFDXERPYQX-UHFFFAOYSA-N |
| MDL Number | MFCD09798144 |
| Molecular Formula | C9H8ClNO2S |
| Molecular Weight | 229.6833 |
| SMILES | Cl.NC1=CC2=C(SC(C(O)=O)=C2)C=C1 |
| Synonyms | 5-amino-1-benzothiophene-2-carboxylic acid hydrochloride,
1052541-68-0,
C9H8ClNO2S,
AC1Q3D06,
CTK7D8412,
AKOS032402899,
MCULE-5906324784,
NE51676,
EN300-40113,
5-aminobenzo[b]thiophene-2-carboxylic acid hydrochloride,
Z415678304,
5-amino-1-benzothiophene-2-carboxylic acid;hydrochloride,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.678g/mol |
| Monoisotopic Mass | 228.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number