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1016985-24-2 | Ferrocene, 1-(dicyclohexylphosphino)-2-[(R)-(dimethylamino)[2-(diphenylphosphino)phenyl]methyl]-, (1S)-
CAS No: 1016985-24-2 Catalog No: AG00058T MDL No:
Product Description
Catalog Number:
AG00058T
Chemical Name:
Ferrocene, 1-(dicyclohexylphosphino)-2-[(R)-(dimethylamino)[2-(diphenylphosphino)phenyl]methyl]-, (1S)-
CAS Number:
1016985-24-2
Molecular Formula:
C43H51FeNP2
Molecular Weight:
699.6643
IUPAC Name:
cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)
InChI:
InChI=1S/C38H58NP2.C5H5.Fe/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-2-4-5-3-1;/h15-17,26-33,38H,3-14,18-25H2,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1
InChI Key:
ZCLAIXUMNAWCKI-VROLVAQFSA-N
SMILES:
CN(C([C]12=[CH]3[CH]4=[CH]5[C-]1(P(C1CCCCC1)C1CCCCC1)[Fe+2]16782345[CH-]2[CH]1=[CH]7[CH]8=[CH]62)c1ccccc1P(c1ccccc1)c1ccccc1)C
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
711.379g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
711.777g/mol
Monoisotopic Mass:
711.379g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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