| CAS Number | 1192141-66-4 |
| Catalog Number | AG01FR71(AGN-PC-3H5PJ3) |
| Chemical Name | (1,3-Bis(2,6-diisopropylphenyl)-4,5-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene)gold(III) chloride |
| IUPAC Name | 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazol-2-ide;chlorogold |
| InChI | InChI=1S/C29H41N2.Au.ClH/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-17-31(23(10)22(30)9)29-26(20(5)6)15-12-16-27(29)21(7)8;;/h11-21H,1-10H3;;1H/q-1;+1;/p-1 |
| InChI Key | PLEDIESLEFQYFG-UHFFFAOYSA-M |
| MDL Number | MFCD31707666 |
| Molecular Formula | C29H40AuClN2 |
| Molecular Weight | 649.0609 |
| SMILES | CC1=C(N(C(=[Au]Cl)N1C2=C(C=CC=C2C(C)C)C(C)C)C3=C(C=CC=C3C(C)C)C(C)C)C |
| Synonyms | 1192141-66-4,
Chloro{1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-4,5-dimethyl-2H-imidazol-2-ylidene}gold(I), 98% IPrMeAuCl@CRLF1192141-66-4,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 649.262397g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 650.1g/mol |
| Monoisotopic Mass | 649.262397g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 6.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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