| CAS Number | 1040064-49-0 |
| Catalog Number | AG01AMW3 |
| Chemical Name | 2-(4-bromo-2-formylphenoxy)-N-methylpropanamide |
| IUPAC Name | 2-(4-bromo-2-formylphenoxy)-N-methylpropanamide |
| InChI | InChI=1S/C11H12BrNO3/c1-7(11(15)13-2)16-10-4-3-9(12)5-8(10)6-14/h3-7H,1-2H3,(H,13,15) |
| InChI Key | TWUYKDGCHSKHQL-UHFFFAOYSA-N |
| MDL Number | MFCD11175671 |
| Molecular Formula | C11H12BrNO3 |
| Molecular Weight | 286.1219 |
| SMILES | CNC(C(OC1=C(C=O)C=C(Br)C=C1)C)=O |
| Synonyms | 2-(4-bromo-2-formylphenoxy)-N-methylpropanamide,
1040064-49-0,
SCHEMBL15330657,
AKOS009016014,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.125g/mol |
| Monoisotopic Mass | 285g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number