| CAS Number | 1227603-64-6 |
| Catalog Number | AG01B5AZ |
| Chemical Name | 3-bromo-5-methoxypyridine-4-carbaldehyde |
| IUPAC Name | 3-bromo-5-methoxypyridine-4-carbaldehyde |
| InChI | InChI=1S/C7H6BrNO2/c1-11-7-3-9-2-6(8)5(7)4-10/h2-4H,1H3 |
| InChI Key | GIITXWQUHWXMIX-UHFFFAOYSA-N |
| MDL Number | MFCD16606524 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | COC1=C(C=O)C(Br)=CN=C1 |
| Synonyms | 3-bromo-5-methoxyisonicotinaldehyde,
1227603-64-6,
3-bromo-5-methoxypyridine-4-carbaldehyde,
AKOS023808934,
ZINC211805150,
CM10232,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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