| CAS Number | 1203952-60-6 |
| Catalog Number | AG01FA02(AGN-PC-3H49E6) |
| Chemical Name | 4-Fluoro-N-methyl-2-(trifluoromethyl)benzamide |
| IUPAC Name | 4-fluoro-N-methyl-2-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C9H7F4NO/c1-14-8(15)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3,(H,14,15) |
| InChI Key | KFYKDCVNRDXILZ-UHFFFAOYSA-N |
| MDL Number | MFCD31718295 |
| Molecular Formula | C9H7F4NO |
| Molecular Weight | 221.1516 |
| SMILES | CNC(=O)c1ccc(cc1C(F)(F)F)F |
| Synonyms | 4-fluoro-N-methyl-2-(trifluoromethyl)benzamide,
1203952-60-6,
SCHEMBL1417617,
KFYKDCVNRDXILZ-UHFFFAOYSA-N,
|
| 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 |
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Certificate of Analysis
Lot Number