| CAS Number | 1547967-32-7 |
| Catalog Number | AG01BGEC |
| Chemical Name | ethyl 5-(chlorosulfonyl)-1-benzothiophene-2-carboxylate |
| IUPAC Name | ethyl 5-chlorosulfonyl-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C11H9ClO4S2/c1-2-16-11(13)10-6-7-5-8(18(12,14)15)3-4-9(7)17-10/h3-6H,2H2,1H3 |
| InChI Key | BVDNJDOKZQXNEB-UHFFFAOYSA-N |
| MDL Number | MFCD24231455 |
| Molecular Formula | C11H9ClO4S2 |
| Molecular Weight | 304.7698 |
| SMILES | CCOC(C1SC2=C(C=C(S(Cl)(=O)=O)C=C2)C=1)=O |
| Synonyms | ethyl 5-(chlorosulfonyl)-1-benzothiophene-2-carboxylate,
1547967-32-7,
ZINC100560159,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.759g/mol |
| Monoisotopic Mass | 303.963g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number