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649559-66-0 | (S)-1-{(RP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine
CAS No: 649559-66-0 Catalog No: AG003CJE MDL No:MFCD06658128
Product Description
Catalog Number:
AG003CJE
Chemical Name:
(S)-1-{(RP)-2-[Di(2-furyl)phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine
CAS Number:
649559-66-0
Molecular Formula:
C36H36FeO2P2
Molecular Weight:
618.4624
MDL Number:
MFCD06658128
IUPAC Name:
[5-[(1S)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopenta-1,3-dien-1-yl]-bis(furan-2-yl)phosphane;cyclopenta-1,3-diene;iron(2+)
InChI:
InChI=1S/C31H31O2P2.C5H5.Fe/c1-21-15-22(2)18-26(17-21)34(27-19-23(3)16-24(4)20-27)25(5)28-9-6-10-29(28)35(30-11-7-13-32-30)31-12-8-14-33-31;1-2-4-5-3-1;/h6-20,25H,1-5H3;1-5H;/q2*-1;+2/t25-;;/m0../s1
InChI Key:
NIRCQEMSYUNJNP-WLOLSGMKSA-N
SMILES:
Cc1cc(C)cc(c1)P([C@H]([C]12=[CH]3[CH]4=[CH]5[C-]1(P(c1ccco1)c1ccco1)[Fe+2]16782345[CH-]2[CH]1=[CH]7[CH]8=[CH]62)C)c1cc(C)cc(c1)C
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
618.154g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
618.475g/mol
Monoisotopic Mass:
618.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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