| CAS Number | 1379308-71-0 |
| Catalog Number | AG01A27H(AGN-PC-0WOB5J) |
| Chemical Name | 2-Bromo-3-nitropyridine-4-carboxylic acid |
| IUPAC Name | 2-bromo-3-nitropyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H3BrN2O4/c7-5-4(9(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,10,11) |
| InChI Key | PCEFRLFLQALRPP-UHFFFAOYSA-N |
| MDL Number | MFCD17168823 |
| Molecular Formula | C6H3BrN2O4 |
| Molecular Weight | 247.0030 |
| SMILES | BrC1=NC=CC(=C1[N+](=O)[O-])C(=O)O |
| Synonyms | 2-bromo-3-nitropyridine-4-carboxylic acid,
1379308-71-0,
2-Bromo-3-nitroisonicotinic acid,
ZINC82164643,
AKOS026729663,
NE16186,
|
| 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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number