| CAS Number | 372081-65-7 |
| Catalog Number | AG00D5K4(AGN-PC-0RDF6K) |
| Chemical Name | 1,1,2,3-tetramethyl-1H-benzo[e]indolium hexafluorophosphate(V) |
| IUPAC Name | 1,1,2,3-tetramethylbenzo[e]indol-3-ium;hexafluorophosphate |
| InChI | InChI=1S/C16H18N.F6P/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4;1-7(2,3,4,5)6/h5-10H,1-4H3;/q+1;-1 |
| InChI Key | OBEJDMPKHNFDIA-UHFFFAOYSA-N |
| MDL Number | MFCD16621101 |
| Molecular Formula | C16H18F6NP |
| Molecular Weight | 369.285 |
| SMILES | F[P-](F)(F)(F)(F)F.C[N+]1=C(C)C(c2c1ccc1c2cccc1)(C)C |
| Synonyms | 1,1,2,3-Tetramethyl-1H-benzo[e]indolium Hexafluorophosphate,
372081-65-7,
CID11199491,
CID 11199491,
T3457,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.291g/mol |
| Monoisotopic Mass | 369.108g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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