| CAS Number | 262608-95-7 |
| Catalog Number | AG00C2WS(AGN-PC-0WBTAY) |
| Chemical Name | 3-(Trifluoromethyl)phenyltrimethylammonium Bromide |
| IUPAC Name | trimethyl-[3-(trifluoromethyl)phenyl]azanium;bromide |
| InChI | InChI=1S/C10H13F3N.BrH/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H/q+1;/p-1 |
| InChI Key | KPFRXMSETZXGKJ-UHFFFAOYSA-M |
| MDL Number | MFCD00059979 |
| Molecular Formula | C10H13BrF3N |
| Molecular Weight | 284.1161 |
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[Br-] |
| Synonyms | 3-(Trifluoromethyl)phenyltrimethylammonium Bromide,
262608-95-7,
3-(trifluoromethyl)phenyltrimethylammoniumbromide,
ACMC-20aj7p,
AC1MC3FT,
Trimethyl-[3-(trifluoromethyl)phenyl]azanium Bromide,
SCHEMBL1730268,
CTK7B6795,
MFCD00059979,
AKOS015833082,
TR-039907,
Trimethyl-3-trifluoromethylphenylammonium Bromide,
N,N,N-trimethyl-3-(trifluoromethyl)anilinium bromide,
CID2760770,
T1036,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.12g/mol |
| Monoisotopic Mass | 283.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number