| CAS Number | 1217887-12-1 |
| Catalog Number | AG01FR99(AGN-PC-3H5PLA) |
| Chemical Name | [2,4,6-Trimethoxyphenyl]dicyclohexylphosphonium tetrafluoroborate |
| IUPAC Name | dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphanium;tetrafluoroborate |
| InChI | InChI=1S/C21H33O3P.BF4/c1-22-16-14-19(23-2)21(20(15-16)24-3)25(17-10-6-4-7-11-17)18-12-8-5-9-13-18;2-1(3,4)5/h14-15,17-18H,4-13H2,1-3H3;/q;-1/p+1 |
| InChI Key | KSZMPQYTYGNGTR-UHFFFAOYSA-O |
| MDL Number | MFCD28400095 |
| Molecular Formula | C21H34BF4O3P |
| Molecular Weight | 452.2712 |
| SMILES | COC1=CC(OC)=CC(OC)=C1[PH+](C2CCCCC2)C3CCCCC3.FB(F)F.[F-] |
| Synonyms | 1217887-12-1,
[2,4,6-Trimethoxyphenyl]dicyclohexylphosphonium tetrafluoroborate,
dicyclohexyl-(2,4,6-trimethoxyphenyl)phosphanium;tetrafluoroborate,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.227475g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.3g/mol |
| Monoisotopic Mass | 452.227475g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 27.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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