| CAS Number | 72832-23-6 |
| Catalog Number | AG00FH2G(AGN-PC-041O2A) |
| Chemical Name | ETHYL 3-BROMOTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE |
| IUPAC Name | ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H8BrNO2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2H2,1H3 |
| InChI Key | SFDIRKDBTVHEEY-UHFFFAOYSA-N |
| MDL Number | MFCD13195405 |
| Molecular Formula | C10H8BrNO2S |
| Molecular Weight | 286.1450 |
| SMILES | CCOC(=O)C1=C(C2=C(N=CC=C2)S1)Br |
| Synonyms | Ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate,
72832-23-6,
3-Bromo-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester,
SCHEMBL1266041,
DTXSID90633220,
SFDIRKDBTVHEEY-UHFFFAOYSA-N,
MFCD13195405,
ZINC91695857,
AKOS022175833,
AS-43724,
AJ-131946,
AX8280430,
EN300-193454,
Z2753057268,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.143g/mol |
| Monoisotopic Mass | 284.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number