| CAS Number | 948294-23-3 |
| Catalog Number | AG01F3GT(AGN-PC-3H48PB) |
| Chemical Name | N-methyl-3,5-bis(trifluoromethyl)benzamide |
| IUPAC Name | N-methyl-3,5-bis(trifluoromethyl)benzamide |
| InChI | InChI=1S/C10H7F6NO/c1-17-8(18)5-2-6(9(11,12)13)4-7(3-5)10(14,15)16/h2-4H,1H3,(H,17,18) |
| InChI Key | WKNPCENNHUVUFW-UHFFFAOYSA-N |
| MDL Number | MFCD04972856 |
| Molecular Formula | C10H7F6NO |
| Molecular Weight | 271.1591 |
| SMILES | C(F)(F)(F)C1C=C(C=C(C=1)C(F)(F)F)C(NC)=O |
| Synonyms | n-methyl-3,5-bis(trifluoromethyl)benzamide,
948294-23-3,
N-Methyl-3,5-bis-trifluoromethyl-benzamide,
SCHEMBL1004777,
ZINC2540304,
MFCD04972856,
AKOS016606965,
MCULE-4395405084,
ST51045048,
[3,5-bis(trifluoromethyl)phenyl]-N-methylcarboxamide,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.162g/mol |
| Monoisotopic Mass | 271.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number