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Walphos SL-W001-2

CAT: 0024-sc-237413Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-237413Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
849925-17-3

Chemical Information

(S)-1-[(S)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene
CAS Number849925-17-3
PubChem CID146159931
Molecular FormulaC46H32F12FeP2
Molecular Weight930.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count61
Formal Charge0
Complexity1100
SMILES
CC([C]1[CH][CH][CH][C]1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]
InChI
InChI=1S/C41H27F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h2-25H,1H3;1-5H;
InChIKey
LKNKYBWIZNAXBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-[(S)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene
CAS: 849925-17-3
CID: 146159931
Formula: C46H32F12FeP2
MW: 930.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight930.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass930.113698
Monoisotopic Mass930.113698
Topological Polar Surface Area0 Ų
Heavy Atom Count61
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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