| CAS Number | 1542894-13-2 |
| Catalog Number | AG01AG4X |
| Chemical Name | 4-bromo-3-chloro-N-methyl-N-(propan-2-yl)benzamide |
| IUPAC Name | 4-bromo-3-chloro-N-methyl-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H13BrClNO/c1-7(2)14(3)11(15)8-4-5-9(12)10(13)6-8/h4-7H,1-3H3 |
| InChI Key | FQJMZPNJOBQAEK-UHFFFAOYSA-N |
| MDL Number | MFCD23030039 |
| Molecular Formula | C11H13BrClNO |
| Molecular Weight | 290.5840 |
| SMILES | CC(N(C(C1=CC(Cl)=C(Br)C=C1)=O)C)C |
| Synonyms | 4-bromo-3-chloro-N-methyl-N-(propan-2-yl)benzamide,
1542894-13-2,
ZINC95884096,
AKOS019549227,
NE52582,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.585g/mol |
| Monoisotopic Mass | 288.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number