| CAS Number | 1211520-06-7 |
| Catalog Number | AG008WQJ(AGN-PC-0WR34A) |
| Chemical Name | 3-Bromo-5-methylpyridine-2-carbaldehyde |
| IUPAC Name | 3-bromo-5-methylpyridine-2-carbaldehyde |
| InChI | InChI=1S/C7H6BrNO/c1-5-2-6(8)7(4-10)9-3-5/h2-4H,1H3 |
| InChI Key | HFHQHXBXKDACLN-UHFFFAOYSA-N |
| MDL Number | MFCD18254323 |
| Molecular Formula | C7H6BrNO |
| Molecular Weight | 200.0326 |
| SMILES | O=CC1=NC=C(C)C=C1Br |
| Synonyms | 3-bromo-5-methylpicolinaldehyde,
1211520-06-7,
3-Bromo-5-methylpyridine-2-carbaldehyde,
2-Pyridinecarboxaldehyde, 3-bromo-5-methyl-,
SCHEMBL14484351,
HFHQHXBXKDACLN-UHFFFAOYSA-N,
MFCD18254323,
ZINC97758898,
C-0617,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.035g/mol |
| Monoisotopic Mass | 198.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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