| CAS Number | 386761-71-3 |
| Catalog Number | AG003OUD(AGN-PC-0RH4FI) |
| Chemical Name | Chloronitrosyl[N,N'-bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediaminato]ruthenium(IV) |
| IUPAC Name | 2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenolate;nitroxyl anion;ruthenium(4+);chloride |
| InChI | InChI=1S/C36H56N2O2.ClH.NO.Ru/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12;;1-2;/h17-22,39-40H,1-16H3;1H;;/q;;-1;+4/p-3 |
| InChI Key | PQKPMIJPLPAVOM-UHFFFAOYSA-K |
| MDL Number | MFCD06797082 |
| Molecular Formula | C36H54ClN3O3Ru |
| Molecular Weight | 713.3553 |
| SMILES | [O+]#[N][Ru+2]123([N](C(C)(C)C(C)(C)[N]2=CC4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4[O-]3)=CC5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5[O-]1)[Cl-] |
| Synonyms | 386761-71-3,
Chloronitrosyl[N,N'-bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediaminato]ruthenium(IV),
C1944,
|
| Complexity | 816 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 713.29g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 713.366g/mol |
| Monoisotopic Mass | 713.29g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H315-H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number