| CAS Number | 33851-23-9 |
| Catalog Number | AG01FSK7(AGN-PC-0HZPLT) |
| Chemical Name | Methyl 7-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate |
| IUPAC Name | methyl 7-chloro-3-hydroxy-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H7ClO3S/c1-14-10(13)9-7(12)5-3-2-4-6(11)8(5)15-9/h2-4,12H,1H3 |
| InChI Key | KSCCHUBNXONIII-UHFFFAOYSA-N |
| MDL Number | MFCD29233626 |
| Molecular Formula | C10H7ClO3S |
| Molecular Weight | 242.6788 |
| SMILES | COC(=O)c1sc2c(c1O)cccc2Cl |
| Synonyms | 33851-23-9,
Methyl 7-chloro-3-hydroxybenzo[b]thiophene-2-carboxylate,
SCHEMBL3190591,
AK00799554,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.980443g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.68g/mol |
| Monoisotopic Mass | 241.980443g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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