| CAS Number | 2043361-32-4 |
| Catalog Number | AG00IME3(AGN-PC-0WQUKR) |
| Chemical Name | 1,3-BIs(2,6-diisopropylphenyl)-2-fluoroimidazolium tetrafluoroborate |
| IUPAC Name | 1,3-bis[2,6-di(propan-2-yl)phenyl]-2-fluoroimidazol-1-ium;tetrafluoroborate |
| InChI | InChI=1S/C27H36FN2.BF4/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8;2-1(3,4)5/h9-20H,1-8H3;/q+1;-1 |
| InChI Key | ZXIKPDSPOFQTLH-UHFFFAOYSA-N |
| MDL Number | MFCD30725740 |
| Molecular Formula | C27H36BF5N2 |
| Molecular Weight | 494.3912 |
| SMILES | [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2F)C3=C(C=CC=C3C(C)C)C(C)C |
| Synonyms | 2043361-32-4,
1,3-Bis(2,6-diisopropylphenyl)-2-fluoroimidazolium Tetrafluoroborate,
1,3-Bis(2,6-diisopropylphenyl)-2-fluoro-1H-imidazol-3-ium tetrafluoroborate,
AlkylFluor,
AlkylFluor(TM),
MFCD30725740,
SB18387,
B5480,
1,3-bis[2,6-bis(propan-2-yl)phenyl]-2-fluoro-3H-1-imidazol-1-ylium; tetrafluoroboranuide,
|
| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.289g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.401g/mol |
| Monoisotopic Mass | 494.289g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 8.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number