| CAS Number | 1457006-45-9 |
| Catalog Number | AG01DYSD |
| Chemical Name | N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide |
| IUPAC Name | N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide |
| InChI | InChI=1S/C11H13F2NO/c1-7(2)11(15)14-6-8-3-4-9(12)5-10(8)13/h3-5,7H,6H2,1-2H3,(H,14,15) |
| InChI Key | GRNQKYIABSYVGA-UHFFFAOYSA-N |
| MDL Number | MFCD20045223 |
| Molecular Formula | C11H13F2NO |
| Molecular Weight | 213.2238 |
| SMILES | CC(C(NCC1=C(F)C=C(F)C=C1)=O)C |
| Synonyms | SCHEMBL18887627,
N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide,
1457006-45-9,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.228g/mol |
| Monoisotopic Mass | 213.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number