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Josiphos SL-J013-2

CAT: 0024-sc-235440Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-235440Size:100 mg
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CAS Number
849924-40-9

Chemical Information

(S)-1-[(R)-2-[Bis(4-methoxy-3,5-dimethylphenyl) phosphino]ferrocenyl]ethyldi-tert-butyl-phosphine
CAS Number849924-40-9
PubChem CID146157778
Molecular FormulaC38H52FeO2P2
Molecular Weight658.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity774
SMILES
CC1=CC(=CC(=C1OC)C)P(C2=CC=C[C]2C(C)P(C(C)(C)C)C(C)(C)C)C3=CC(=C(C(=C3)C)OC)C.C1=C[CH]C=C1.[Fe]
InChI
InChI=1S/C33H47O2P2.C5H5.Fe/c1-21-17-26(18-22(2)30(21)34-12)36(27-19-23(3)31(35-13)24(4)20-27)29-16-14-15-28(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h14-20,25H,1-13H3;1-5H;
InChIKey
UALLLNAXGQTBJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-[(R)-2-[Bis(4-methoxy-3,5-dimethylphenyl) phosphino]ferrocenyl]ethyldi-tert-butyl-phosphine
CAS: 849924-40-9
CID: 146157778
Formula: C38H52FeO2P2
MW: 658.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight658.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass658.279190
Monoisotopic Mass658.279190
Topological Polar Surface Area18.5 Ų
Heavy Atom Count43
Formal Charge0
Complexity774
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