| CAS Number | 2029175-99-1 |
| Catalog Number | AG01EUHS(AGN-PC-3H47JC) |
| Chemical Name | 2-Fluoro-N-methyl-4-(trifluoromethyl)-benzamide |
| IUPAC Name | 2-fluoro-N-methyl-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H7F4NO/c1-14-8(15)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3,(H,14,15) |
| InChI Key | OLCDIAITVHRPNL-UHFFFAOYSA-N |
| MDL Number | MFCD31718285 |
| Molecular Formula | C9H7F4NO |
| Molecular Weight | 221.1516 |
| SMILES | C1(C(NC)=O)C=CC(C(F)(F)F)=CC=1F |
| Synonyms | 2-Fluoro-N-methyl-4-(trifluoromethyl)-benzamide,
2029175-99-1,
SCHEMBL13407781,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.155g/mol |
| Monoisotopic Mass | 221.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number