| CAS Number | 1433803-79-2 |
| Catalog Number | AG01FTTV(AGN-PC-3H60E5) |
| Chemical Name | (2,5-Dimethyl-1H-pyrrol-1-yl)(2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-2'-olato)(2-methyl-2-phenylpropylidene)[2,3,4,5,6-pentafluorobenzenaminato(2-)-κN] ,(T-4) molybdenum(VI) |
| IUPAC Name | 2,6-bis(2,4,6-trimethylphenyl)phenol;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum |
| InChI | InChI=1S/C24H26O.C10H12.C6F5N.C6H8N.Mo/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;1-10(2,3)9-7-5-4-6-8-9;7-1-2(8)4(10)6(12)5(11)3(1)9;1-5-3-4-6(2)7-5;/h7-13,25H,1-6H3;1,4-8H,2-3H3;;3-4H,1-2H3;/q;;;-1; |
| InChI Key | WVJDOFZUINSQEI-UHFFFAOYSA-N |
| MDL Number | MFCD00011984 |
| Molecular Formula | C46H46F5MoN2O |
| Molecular Weight | 833.8223 |
| SMILES | Oc1c(cccc1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C.Fc1c(N=[Mo]=CC(c2ccccc2)(C)C)c(F)c(c(c1F)F)F.Cc1ccc([n-]1)C |
| Synonyms | |
| Complexity | 1130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 835.258434g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 55 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 833.8g/mol |
| Monoisotopic Mass | 835.258434g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 33.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number