| CAS Number | 1529257-64-4 |
| Catalog Number | AG01C18R |
| Chemical Name | 4-bromo-3-chloro-N-methyl-N-phenylbenzamide |
| IUPAC Name | 4-bromo-3-chloro-N-methyl-N-phenylbenzamide |
| InChI | InChI=1S/C14H11BrClNO/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12(15)13(16)9-10/h2-9H,1H3 |
| InChI Key | QHDDGQXDXSAUDY-UHFFFAOYSA-N |
| MDL Number | MFCD23027213 |
| Molecular Formula | C14H11BrClNO |
| Molecular Weight | 324.6002 |
| SMILES | CN(C1=CC=CC=C1)C(C1=CC(Cl)=C(Br)C=C1)=O |
| Synonyms | 4-bromo-3-chloro-N-methyl-N-phenylbenzamide,
1529257-64-4,
AKOS019517372,
ZINC121712761,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.602g/mol |
| Monoisotopic Mass | 322.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number