| CAS Number | 1248738-15-9 |
| Catalog Number | AG009JBA |
| Chemical Name | 3-Bromo-4-methylpicolinaldehyde |
| IUPAC Name | 3-bromo-4-methylpyridine-2-carbaldehyde |
| InChI | InChI=1S/C7H6BrNO/c1-5-2-3-9-6(4-10)7(5)8/h2-4H,1H3 |
| InChI Key | KEKLSHBXRCBCOG-UHFFFAOYSA-N |
| MDL Number | MFCD23161604 |
| Molecular Formula | C7H6BrNO |
| Molecular Weight | 200.0326 |
| SMILES | BrC=1C(=NC=CC1C)C=O |
| Synonyms | 3-bromo-4-methylpicolinaldehyde,
1248738-15-9,
3-bromo-4-methylpyridine-2-carbaldehyde,
2-Pyridinecarboxaldehyde, 3-bromo-4-methyl-,
SCHEMBL3716910,
KEKLSHBXRCBCOG-UHFFFAOYSA-N,
ZINC168145268,
3-bromo-4-methyl-pyridine-2-carbaldehyde,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number