| CAS Number | 920739-11-3 |
| Catalog Number | AG003CQO(AGN-PC-0WANR8) |
| Chemical Name | [1,3-BIs(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(i) |
| IUPAC Name | 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole;copper;3-hydroxy-1,3-diphenylprop-2-en-1-one |
| InChI | InChI=1S/C27H36N2.C15H12O2.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h9-16,18-21H,1-8H3;1-11,16H; |
| InChI Key | QEXNUQSCWMWURE-UHFFFAOYSA-N |
| MDL Number | MFCD12545959 |
| Molecular Formula | C42H48CuN2O2 |
| Molecular Weight | 676.3887 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN([C]2)C3=C(C=CC=C3C(C)C)C(C)C.C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=CC=C2)/O.[Cu] |
| Synonyms | [1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](1,3-diphenyl-1,3-propanedionato)copper(I),
920739-11-3,
|
| Complexity | 744 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 675.301g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 676.404g/mol |
| Monoisotopic Mass | 675.301g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
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Certificate of Analysis
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