| CAS Number | 1289197-78-9 |
| Catalog Number | AG000YIZ(AGN-PC-0WG3GE) |
| Chemical Name | 3-Pyridinecarboxaldehyde, 2-bromo-4-chloro- |
| IUPAC Name | 2-bromo-4-chloropyridine-3-carbaldehyde |
| InChI | InChI=1S/C6H3BrClNO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H |
| InChI Key | KCOAVFRTHTWKDO-UHFFFAOYSA-N |
| MDL Number | MFCD20040081 |
| Molecular Formula | C6H3BrClNO |
| Molecular Weight | 220.4511 |
| SMILES | C(=O)c1c(Cl)ccnc1Br |
| Synonyms | 2-Bromo-4-chloronicotinaldehyde,
1289197-78-9,
2-bromo-4-chloropyridine-3-carbaldehyde,
3-Pyridinecarboxaldehyde, 2-bromo-4-chloro-,
SCHEMBL3649684,
KCOAVFRTHTWKDO-UHFFFAOYSA-N,
MFCD20040081,
ZINC86029370,
AKOS027321065,
FCH1362798,
OR53177,
SB18462,
AK310491,
AS-36678,
2-bromo-4-chloropyridine-3-carboxaldehyde,
CS-0052003,
FT-0764204,
2-Bromo-4-chloropyridine-3-carboxaldehyde, 97%,
|
| 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 | 2 |
Certificate of Analysis
Lot Number