| CAS Number | 77373-52-5 |
| Catalog Number | AG00ICU3(AGN-PC-0NJV8H) |
| Chemical Name | Ethyl 3-amino-4-methoxy-1-benzothiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-4-methoxy-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C12H13NO3S/c1-3-16-12(14)11-10(13)9-7(15-2)5-4-6-8(9)17-11/h4-6H,3,13H2,1-2H3 |
| InChI Key | BHJHCJZGVFYMOG-UHFFFAOYSA-N |
| MDL Number | MFCD13194590 |
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.3015 |
| SMILES | CCOC(=O)c1sc2cccc(OC)c2c1N |
| Synonyms | Ethyl 3-amino-4-methoxy-1-benzothiophene-2-carboxylate,
77373-52-5,
KS-00003HFG,
ZX-RL001204,
MFCD13194590,
ZINC39267829,
AS-8411,
ABA-7864120,
OR110275,
ethyl 3-amino-4-methoxybenzo[b]thiophene-2-carboxylate,
Benzo[b]thiophene-2-carboxylic acid, 3-amino-4-methoxy-, ethyl ester,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.3g/mol |
| Monoisotopic Mass | 251.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number