| CAS Number | 1064678-66-5 |
| Catalog Number | AG00HATE(AGN-PC-0WR1HQ) |
| Chemical Name | 3-Bromo-5-chloropyridine-4-carboxaldehyde |
| IUPAC Name | 3-bromo-5-chloropyridine-4-carbaldehyde |
| InChI | InChI=1S/C6H3BrClNO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H |
| InChI Key | JLQBWCMANGAHMK-UHFFFAOYSA-N |
| MDL Number | MFCD16606503 |
| Molecular Formula | C6H3BrClNO |
| Molecular Weight | 220.4511 |
| SMILES | O=Cc1c(Cl)cncc1Br |
| Synonyms | 3-Bromo-5-chloropyridine-4-carboxaldehyde,
1064678-66-5,
3-Bromo-5-chloroisonicotinaldehyde,
SCHEMBL1563913,
JLQBWCMANGAHMK-UHFFFAOYSA-N,
MFCD16606503,
ZINC86029378,
AKOS027425295,
3-bromo-5-chloropyridine-4-carbaldehyde,
3-bromo-5-chloro-pyridine-4-carbaldehyde,
4-Pyridinecarboxaldehyde,3-bromo-5-chloro-,
Z-2535,
3-Bromo-5-chloropyridine-4-carboxaldehyde, 95%,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.45g/mol |
| Monoisotopic Mass | 218.909g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number