| CAS Number | 19156-49-1 |
| Catalog Number | AG00AE3B(AGN-PC-0WCRBC) |
| Chemical Name | ethyl 1-benzothiophene-3-carboxylate |
| IUPAC Name | ethyl 1-benzothiophene-3-carboxylate |
| InChI | InChI=1S/C11H10O2S/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3 |
| InChI Key | AYWFFQGZZINDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD02177119 |
| Molecular Formula | C11H10O2S |
| Molecular Weight | 206.2609 |
| SMILES | CCOC(C1C2=C(C=CC=C2)SC=1)=O |
| Synonyms | ethyl benzo[b]thiophene-3-carboxylate,
ethyl 1-benzothiophene-3-carboxylate,
19156-49-1,
AC1LI6K1,
SCHEMBL9494725,
RARECHEM AL BI 0712,
ZINC476645,
STK430720,
AKOS003282462,
MCULE-1059205002,
NE31614,
ST50937656,
benzo[b]thiophene-3-carboxylic acid ethyl ester,
Benzo[b]thiophene-3-carboxylic acid, ethyl ester,
Ethyl Benzothiophene-3-carboxylate,
CID898679,
Ethyl benzothiophene-3-carboxylate, 97% - 1G 1g,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.259g/mol |
| Monoisotopic Mass | 206.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number