| CAS Number | 1250443-94-7 |
| Catalog Number | AG000N0S(AGN-PC-0WCYA4) |
| Chemical Name | Methyl 5-bromothieno[2,3-B]pyridine-2-carboxylate |
| IUPAC Name | methyl 5-bromothieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C9H6BrNO2S/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,1H3 |
| InChI Key | BEXOEHXVYAAILU-UHFFFAOYSA-N |
| MDL Number | MFCD16987565 |
| Molecular Formula | C9H6BrNO2S |
| Molecular Weight | 272.1184 |
| SMILES | O=C(C1=CC2=CC(Br)=CN=C2S1)OC |
| Synonyms | METHYL 5-BROMOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE,
1250443-94-7,
DTXSID10679948,
MFCD16987565,
ZINC66348820,
AKOS015901801,
CS-0061855,
I14-14645,
Thieno[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.116g/mol |
| Monoisotopic Mass | 270.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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