| CAS Number | 1498969-78-0 |
| Catalog Number | AG01FC3J(AGN-PC-3H49LH) |
| Chemical Name | 2-(2,4-Difluorophenyl)-N-methylacetamide |
| IUPAC Name | 2-(2,4-difluorophenyl)-N-methylacetamide |
| InChI | InChI=1S/C9H9F2NO/c1-12-9(13)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3,(H,12,13) |
| InChI Key | FCBFILDKISIDQC-UHFFFAOYSA-N |
| MDL Number | MFCD23848022 |
| Molecular Formula | C9H9F2NO |
| Molecular Weight | 185.1707 |
| SMILES | CNC(=O)Cc1ccc(cc1F)F |
| Synonyms | 2-(2,4-difluorophenyl)-N-methylacetamide,
1498969-78-0,
SCHEMBL13329783,
AKOS018735331,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.174g/mol |
| Monoisotopic Mass | 185.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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