| CAS Number | 1207537-67-4 |
| Catalog Number | AG01DLBC(AGN-PC-0WCB7W) |
| Chemical Name | Ethyl 4-chlorobenzo[b]thiophene-2-carboxylate |
| IUPAC Name | ethyl 4-chloro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H9ClO2S/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-6H,2H2,1H3 |
| InChI Key | FKFLOHDQWJVBQW-UHFFFAOYSA-N |
| MDL Number | MFCD11100113 |
| Molecular Formula | C11H9ClO2S |
| Molecular Weight | 240.7060 |
| SMILES | CCOC(=O)C1=CC2=C(C=CC=C2S1)Cl |
| Synonyms | Ethyl 4-Chloro-1-benzothiophene-2-carboxylate,
1207537-67-4,
Ethyl 4-Chlorobenzo[b]thiophene-2-carboxylate,
SCHEMBL9612633,
CHEMBL1093036,
CTK6F8057,
KS-00003SQW,
MFCD11100113,
SBB053976,
ZINC40448026,
AKOS025393737,
MCULE-4339898754,
TS-00716,
ST50949760,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.701g/mol |
| Monoisotopic Mass | 240.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number