| CAS Number | 1379359-54-2 |
| Catalog Number | AG0017OA(AGN-PC-0WGGPG) |
| Chemical Name | Pyridine, 3-bromo-6-methyl-2-nitro- |
| IUPAC Name | 3-bromo-6-methyl-2-nitropyridine |
| InChI | InChI=1S/C6H5BrN2O2/c1-4-2-3-5(7)6(8-4)9(10)11/h2-3H,1H3 |
| InChI Key | YPLZSMVVNLHUFX-UHFFFAOYSA-N |
| MDL Number | MFCD17014966 |
| Molecular Formula | C6H5BrN2O2 |
| Molecular Weight | 217.0201 |
| SMILES | Cc1ccc(c(n1)[N+](=O)[O-])Br |
| Synonyms | 3-bromo-6-methyl-2-nitropyridine,
5-bromo-2-methyl-6-nitropyridine,
3-Bromo-6-methyl-2-nitro-pyridine,
1379359-54-2,
SCHEMBL10025751,
CTK8E5185,
ZINC83428752,
FCH1351870,
Pyridine, 3-bromo-6-methyl-2-nitro-,
TRA0079891,
OR345532,
TX-017173,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.022g/mol |
| Monoisotopic Mass | 215.953g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number