| CAS Number | 544461-38-3 |
| Catalog Number | AG00DFGR(AGN-PC-0SH8AX) |
| Chemical Name | 1,1'-Bis{(S)-4,5-dihydro-3H-binaphtho[1,2-c:2',1'-e]phosphino}ferrocene |
| IUPAC Name | 13-cyclopentyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene;iron(2+) |
| InChI | InChI=1S/2C27H20P.Fe/c2*1-5-11-24-19(7-1)13-15-21-17-28(23-9-3-4-10-23)18-22-16-14-20-8-2-6-12-25(20)27(22)26(21)24;/h2*1-16H,17-18H2;/q;;+2 |
| InChI Key | COTJKXKUWHUMIR-UHFFFAOYSA-N |
| MDL Number | MFCD09842757 |
| Molecular Formula | C54H40FeP2 |
| Molecular Weight | 806.6879 |
| SMILES | C=1C=CC2=C(C1)C=CC3=C2C4=C5C=CC=CC5=CC=C4CP(C3)[C-]67[CH]8=[CH]9[CH]%10=[CH]6[Fe+2]9%10%11%12%13%1487[CH]=%15[CH]%14=[CH]%13[C-]%12(P%16CC=%17C=CC=%18C=CC=CC%18C%17C%19=C%20C=CC=CC%20=CC=C%19C%16)[CH]%15%11 |
| Synonyms | (S,S)-f-BINAPHANE,
544461-38-3,
CTK8E6522,
AKOS025295448,
RT-012688,
CID9875721,
CID 9875721,
|
| Complexity | 496 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 806.195461g/mol |
| Formal Charge | 2 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 806.7g/mol |
| Monoisotopic Mass | 806.195461g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number