| CAS Number | 2055841-41-1 |
| Catalog Number | AG01DTSB |
| Chemical Name | n-benzyl-n-(3-bromopyridin-2-yl)pivalamide |
| IUPAC Name | N-benzyl-N-(3-bromopyridin-2-yl)-2,2-dimethylpropanamide |
| InChI | InChI=1S/C17H19BrN2O/c1-17(2,3)16(21)20(12-13-8-5-4-6-9-13)15-14(18)10-7-11-19-15/h4-11H,12H2,1-3H3 |
| InChI Key | DCIRVBJXKJONOC-UHFFFAOYSA-N |
| MDL Number | MFCD30490708 |
| Molecular Formula | C17H19BrN2O |
| Molecular Weight | 347.2496 |
| SMILES | CC(C)(C)C(=O)N(CC1=CC=CC=C1)C1=NC=CC=C1Br |
| Synonyms | N-Benzyl-N-(3-bromopyridin-2-yl)pivalamide,
2055841-41-1,
MFCD30490708,
AKOS030629804,
ZINC584906994,
AS-48493,
CS-0030349,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.256g/mol |
| Monoisotopic Mass | 346.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number