| CAS Number | 1256809-64-9 |
| Catalog Number | AG009W7Q(AGN-PC-0WNGL7) |
| Chemical Name | 5-Bromo-2-chloro-6-methyl-nicotinic acid |
| IUPAC Name | 5-bromo-2-chloro-6-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H5BrClNO2/c1-3-5(8)2-4(7(11)12)6(9)10-3/h2H,1H3,(H,11,12) |
| InChI Key | GCRXOERAOBJTJI-UHFFFAOYSA-N |
| MDL Number | MFCD18258584 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | Cc1c(cc(c(n1)Cl)C(=O)O)Br |
| Synonyms | 1256809-64-9,
5-Bromo-2-chloro-6-methylnicotinic acid,
5-Bromo-2-chloro-6-methyl-nicotinic acid,
SCHEMBL3450933,
MFCD18258584,
ZINC144438719,
KS-00000M52,
AK482401,
5-bromo-2-chloro-6-methylpyridine-3-carboxylic acid,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number