| CAS Number | 1060811-26-8 |
| Catalog Number | AG00955M(AGN-PC-0WAIVU) |
| Chemical Name | 2-Bromo-6-chloro-4-pyridinecarboxylic acid |
| IUPAC Name | 2-bromo-6-chloropyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H3BrClNO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11) |
| InChI Key | IBBONDAWVSODCZ-UHFFFAOYSA-N |
| MDL Number | MFCD13185792 |
| Molecular Formula | C6H3BrClNO2 |
| Molecular Weight | 236.4505 |
| SMILES | c1c(cc(nc1Cl)Br)C(=O)O |
| Synonyms | 2-BROMO-6-CHLOROISONICOTINIC ACID,
1060811-26-8,
ZINC95761190,
AKOS027321721,
AB66787,
4-Pyridinecarboxylic acid, 2-bromo-6-chloro-,
2-BROMO-6-CHLORO-4-PYRIDINECARBOXYLIC ACID,
2-BROMO-6-CHLOROPYRIDINE-4-CARBOXYLIC ACID,
6-Chloro-2-bromoisonicotinic acid,
ACN-055602,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.449g/mol |
| Monoisotopic Mass | 234.904g/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