| CAS Number | 1820664-98-9 |
| Catalog Number | AG01FH7O(AGN-PC-3H4AM1) |
| Chemical Name | 2-Bromo-4-[methoxy(methyl)carbamoyl]benzotrifluoride |
| IUPAC Name | 3-bromo-N-methoxy-N-methyl-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C10H9BrF3NO2/c1-15(17-2)9(16)6-3-4-7(8(11)5-6)10(12,13)14/h3-5H,1-2H3 |
| InChI Key | OEOKVSPGWYRKSS-UHFFFAOYSA-N |
| MDL Number | MFCD28515423 |
| Molecular Formula | C10H9BrF3NO2 |
| Molecular Weight | 312.0832 |
| SMILES | CON(C(=O)c1ccc(c(c1)Br)C(F)(F)F)C |
| Synonyms | 3-Bromo-N-methoxy-N-methyl-4-(trifluoromethyl)benzamide,
1820664-98-9,
MFCD28515423,
ZINC169801666,
PC50107,
PS-11095,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.086g/mol |
| Monoisotopic Mass | 310.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number