| CAS Number | 849642-02-0 |
| Catalog Number | AG00IWHX(AGN-PC-0OJHSG) |
| Chemical Name | N-(2-Benzoylphenyl)-2-bromo-2-methylpropanamide |
| IUPAC Name | N-(2-benzoylphenyl)-2-bromo-2-methylpropanamide |
| InChI | InChI=1S/C17H16BrNO2/c1-17(2,18)16(21)19-14-11-7-6-10-13(14)15(20)12-8-4-3-5-9-12/h3-11H,1-2H3,(H,19,21) |
| InChI Key | NAQYNXWNHZZUGL-UHFFFAOYSA-N |
| MDL Number | MFCD28016144 |
| Molecular Formula | C17H16BrNO2 |
| Molecular Weight | 346.2184 |
| SMILES | C(C1=CC=CC=C1)(=O)C1=C(C=CC=C1)NC(C(C)(C)Br)=O |
| Synonyms | N-(2-benzoylphenyl)-2-bromo-2-methylpropanamide,
849642-02-0,
KS-000023UM,
ZINC96179474,
AKOS022193562,
CK-0728,
N-(2-Benzoylphenyl)-2-bromoisobutyramide,
ACN-054493,
N-(2-Benzoylphenyl)-2-bromo-2-methylpropanamide, 97% - 1G 1g,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.224g/mol |
| Monoisotopic Mass | 345.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number