| CAS Number | 136274-57-2 |
| Catalog Number | AG003CCF(AGN-PC-0WALOT) |
| Chemical Name | (R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene |
| IUPAC Name | cyclopenta-1,3-diene;[2-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)cyclopenta-1,4-dien-1-yl]-diphenylphosphane;iron(2+) |
| InChI | InChI=1S/C34H26P2.2C5H5.2Fe/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)33-25-13-23-31(33)32-24-14-26-34(32)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-4-5-3-1;;/h1-26H;2*1-5H;;/q-2;2*-1;2*+2 |
| InChI Key | VADPYXYBFVOWCG-UHFFFAOYSA-N |
| MDL Number | MFCD11112167 |
| Molecular Formula | C44H20Fe2P2 |
| Molecular Weight | 722.2671 |
| SMILES | P(C1=CC=CC=C1)(C2=CC=CC=C2)C34=C5[Fe+2]36789%10%11([C-]%12C8=C9C%10=C%11%12)[C-]4([C-]%13%14[Fe+2]%15%16%17%18%19%20%21([C-]%22C%18=C%19C%20=C%21%22)C%13(P(C%23=CC=CC=C%23)C%24=CC=CC=C%24)=C%15C%16=C%14%17)C6=C75 |
| Synonyms | 136274-57-2,
(R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene,
B3196,
VADPYXYBFVOWCG-UHFFFAOYSA-N,
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| Complexity | 688 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 738.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 738.41g/mol |
| Monoisotopic Mass | 738.099g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number