| CAS Number | 1936028-11-3 |
| Catalog Number | AG01DKET |
| Chemical Name | 3-BROMO-7,8-DIHYDRO-5H-PYRANO[4,3-B]PYRIDIN-8-OL |
| IUPAC Name | 3-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-ol |
| InChI | InChI=1S/C8H8BrNO2/c9-6-1-5-3-12-4-7(11)8(5)10-2-6/h1-2,7,11H,3-4H2 |
| InChI Key | ASKZTCPOHSSXIZ-UHFFFAOYSA-N |
| MDL Number | MFCD28991750 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | OC1COCc2cc(Br)cnc12 |
| Synonyms | 3-Bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-ol,
1936028-11-3,
MFCD28991750,
CS-0039986,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number