| CAS Number | 105191-53-5 |
| Catalog Number | AG0096V6(AGN-PC-0NW0GD) |
| Chemical Name | Ethyl 6-chloro-1-benzothiophene-2-carboxylate |
| IUPAC Name | ethyl 6-chloro-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H9ClO2S/c1-2-14-11(13)10-5-7-3-4-8(12)6-9(7)15-10/h3-6H,2H2,1H3 |
| InChI Key | JRYMMKXUODUVOT-UHFFFAOYSA-N |
| MDL Number | MFCD25372107 |
| Molecular Formula | C11H9ClO2S |
| Molecular Weight | 240.7060 |
| SMILES | CCOC(=O)c1cc2c(s1)cc(cc2)Cl |
| Synonyms | 105191-53-5,
ETHYL 6-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE,
Ethyl 6-Chlorobenzo[b]thiophene-2-carboxylate,
SCHEMBL16595447,
ZINC91675834,
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-, ethyl ester,
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| 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 |
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Certificate of Analysis
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