| CAS Number | 1280786-58-4 |
| Catalog Number | AG000XQQ(AGN-PC-09PZRN) |
| Chemical Name | 5-Bromo-2-ethylamino-3-nitro-4-picoline |
| IUPAC Name | 5-bromo-N-ethyl-4-methyl-3-nitropyridin-2-amine |
| InChI | InChI=1S/C8H10BrN3O2/c1-3-10-8-7(12(13)14)5(2)6(9)4-11-8/h4H,3H2,1-2H3,(H,10,11) |
| InChI Key | IBEKEYYPHDLMEP-UHFFFAOYSA-N |
| MDL Number | MFCD08692200 |
| Molecular Formula | C8H10BrN3O2 |
| Molecular Weight | 260.0879 |
| SMILES | CCNc1ncc(c(c1[N+](=O)[O-])C)Br |
| Synonyms | 5-Bromo-N-ethyl-4-methyl-3-nitropyridin-2-amine,
1280786-58-4,
5-Bromo-2-ethylamino-3-nitro-4-picoline,
CTK8B6598,
DTXSID90682470,
ANW-53725,
MFCD08692200,
ZINC65337546,
AKOS015894958,
FCH1389542,
OR345558,
AJ-115221,
AX8229122,
TC-142470,
ST24023997,
Z9385,
A-3567,
I05-640,
2-Pyridinamine, 5-bromo-N-ethyl-4-methyl-3-nitro-,
C8H10BrN3O2,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.091g/mol |
| Monoisotopic Mass | 258.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number