| CAS Number | 161006-14-0 |
| Catalog Number | AG01EQBZ(AGN-PC-0Q7ZG4) |
| Chemical Name | 10-methyl-9-(phenoxycarbonyl)-acridinium,1,1,1-trifluoromethanesulfonate |
| IUPAC Name | phenyl 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate |
| InChI | InChI=1S/C21H16NO2.CHF3O3S/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15;2-1(3,4)8(5,6)7/h2-14H,1H3;(H,5,6,7)/q+1;/p-1 |
| InChI Key | RPYQDSABWVKCEJ-UHFFFAOYSA-M |
| MDL Number | MFCD32173632 |
| Molecular Formula | C22H16F3NO5S |
| Molecular Weight | 463.4263 |
| SMILES | FC(S(=O)(=O)[O-])(F)F.C[N+]1=C2C=CC=CC2=C(C2=CC=CC=C12)C(=O)OC1=CC=CC=C1 |
| Synonyms | SCHEMBL5705540,
RPYQDSABWVKCEJ-UHFFFAOYSA-M,
9-phenoxycarbonyl-10-methylacridinium trifluoromethanesulphonate,
Phenyl 10-methylacridinium-9-carboxylate trifluoro-methanesulfonate,
Phenyl 10-methylacridinium-9-carboxylate trifluoromethanesulfonate,
10-methyl-9-(phenoxycarbonyl)-acridinium,1,1,1-trifluoromethanesulfonate,
161006-14-0,
|
| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 463.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 463.427g/mol |
| Monoisotopic Mass | 463.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number