| CAS Number | 96206-67-6 |
| Catalog Number | AG0068K6(AGN-PC-00MOP1) |
| Chemical Name | 5-Acetamido-2-bromo-3-picoline |
| IUPAC Name | N-(6-bromo-5-methylpyridin-3-yl)acetamide |
| InChI | InChI=1S/C8H9BrN2O/c1-5-3-7(11-6(2)12)4-10-8(5)9/h3-4H,1-2H3,(H,11,12) |
| InChI Key | SJELRIJOZZSNHS-UHFFFAOYSA-N |
| MDL Number | MFCD20231487 |
| Molecular Formula | C8H9BrN2O |
| Molecular Weight | 229.0739 |
| SMILES | CC(=O)Nc1cnc(c(c1)C)Br |
| Synonyms | N-(6-Bromo-5-methylpyridin-3-yl)acetamide,
96206-67-6,
5-Acetamido-2-bromo-3-picoline,
CTK8B6444,
DTXSID30541592,
ANW-53468,
KM3414,
MFCD20231487,
ZINC74937899,
AKOS015910022,
CJ-21811,
AJ-121495,
TC-142213,
CS-0083358,
ST24025597,
V9870,
I14-31226,
C8H9BrN2O,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.077g/mol |
| Monoisotopic Mass | 227.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number