| CAS Number | 1094533-53-5 |
| Catalog Number | AG019KYZ |
| Chemical Name | 2-Bromo-n-(3-acetylphenyl)-3-methylbutanamide |
| IUPAC Name | N-(3-acetylphenyl)-2-bromo-3-methylbutanamide |
| InChI | InChI=1S/C13H16BrNO2/c1-8(2)12(14)13(17)15-11-6-4-5-10(7-11)9(3)16/h4-8,12H,1-3H3,(H,15,17) |
| InChI Key | WGLPUEMSZBMKJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11643988 |
| Molecular Formula | C13H16BrNO2 |
| Molecular Weight | 298.1756 |
| SMILES | CC(C(C(NC1=CC(C(C)=O)=CC=C1)=O)Br)C |
| Synonyms | N-(3-acetylphenyl)-2-bromo-3-methylbutanamide,
1094533-53-5,
AKOS005923448,
NE26639,
2-bromo-N-(3-acetylphenyl)-3-methylbutanamide,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.18g/mol |
| Monoisotopic Mass | 297.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number