| CAS Number | 290347-88-5 |
| Catalog Number | AG00C1T6 |
| Chemical Name | 1,1-Bis((2S,5S)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) |
| IUPAC Name | carbanide;(1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-cyclopentyl-2,5-diethylphospholan-1-ium;iron;rhodium(3+);tetrafluoroborate |
| InChI | InChI=1S/2C13H25P.C8H12.2CH3.BF4.Fe.Rh/c2*1-3-11-9-10-12(4-2)14(11)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;;;2-1(3,4)5;;/h2*11-13H,3-10H2,1-2H3;1-2,7-8H,3-6H2;2*1H3;;;/q;;;3*-1;;+3/p+2/b;;2-1-,8-7-;;;;;/t2*11-,12-;;;;;;/m11....../s1 |
| InChI Key | JWRQRLUJPVPGAO-LYUBLRROSA-P |
| MDL Number | MFCD17018833 |
| Molecular Formula | C34H52FeP2Rh |
| Molecular Weight | 681.4747 |
| SMILES | C(C)[C@@H]1[P]2([C-]34[Fe+2]56789%10%11([C-]%12([CH]5=[CH]6[CH]7=[CH]8%12)[P]%13([Rh+]2%14%15%16[CH]%17=[CH]%14CC[CH]%15=[CH]%16CC%17)[C@@H](CC)CC[C@@H]%13CC)[CH]3=[CH]9[CH]%10=[CH]%114)[C@@H](CC)CC1 |
| Synonyms | MFCD17018832,
MFCD17018833,
162412-90-0,
1,1'-Bis((2R,5R)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate,
1,1'-Bis((2S,5S)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate,
290347-88-5,
JWRQRLUJPVPGAO-LYUBLRROSA-P,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 8 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 810.339g/mol |
| Formal Charge | 2 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 810.458g/mol |
| Monoisotopic Mass | 810.339g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number