| CAS Number | 857814-21-2 |
| Catalog Number | AG01A6IO |
| Chemical Name | 2-bromo-N-methyl-3-phenylpropanamide |
| IUPAC Name | 2-bromo-N-methyl-3-phenylpropanamide |
| InChI | InChI=1S/C10H12BrNO/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13) |
| InChI Key | GJWKSNUMCGDMIC-UHFFFAOYSA-N |
| MDL Number | MFCD25970317 |
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 242.1124 |
| SMILES | CNC(C(CC1=CC=CC=C1)Br)=O |
| Synonyms | 2-bromo-N-methyl-3-phenylpropanamide,
857814-21-2,
NE21924,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.116g/mol |
| Monoisotopic Mass | 241.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number