| CAS Number | 1356412-82-2 |
| Catalog Number | AG009WJH(AGN-PC-0JF3ZU) |
| Chemical Name | 5-Bromo-2-nitroisonicotinic acid |
| IUPAC Name | 5-bromo-2-nitropyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H3BrN2O4/c7-4-2-8-5(9(12)13)1-3(4)6(10)11/h1-2H,(H,10,11) |
| InChI Key | MPPXDSQZQIBCRT-UHFFFAOYSA-N |
| MDL Number | MFCD21648462 |
| Molecular Formula | C6H3BrN2O4 |
| Molecular Weight | 247.0030 |
| SMILES | O=C(O)C1=C(Br)C=NC([N+]([O-])=O)=C1 |
| Synonyms | 5-Bromo-2-nitroisonicotinic acid,
1356412-82-2,
5-bromo-2-nitropyridine-4-carboxylic acid,
DTXSID00855850,
MFCD21648462,
ZINC91297562,
AKOS016011419,
DS-6272,
KS-00000R45,
AK120800,
AJ-129498,
ST2418651,
4CH-012354,
Z2335632252,
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| 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
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number