| CAS Number | 1211578-33-4 |
| Catalog Number | AG01A47F(AGN-PC-0WO3TS) |
| Chemical Name | 6-Bromo-5-nitropyridine-2-carboxylic Acid |
| IUPAC Name | 6-bromo-5-nitropyridine-2-carboxylic acid |
| InChI | InChI=1S/C6H3BrN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11) |
| InChI Key | RWDVNWYGZAUUDG-UHFFFAOYSA-N |
| MDL Number | MFCD18257548 |
| Molecular Formula | C6H3BrN2O4 |
| Molecular Weight | 247.0030 |
| SMILES | OC(C1=NC(Br)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 6-bromo-5-nitropyridine-2-carboxylic acid,
6-Bromo-5-nitropicolinic acid,
1211578-33-4,
ZINC88613823,
AKOS026727330,
MCULE-3488848122,
NE19051,
Z1816507668,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.004g/mol |
| Monoisotopic Mass | 245.928g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number