(C5H5)Fe(C5H3(PCy2)CH(CH3)PtBu2)Pd(NH2)(para-anisyl)
- CAS No.: 909020-69-5
- Molecular Weight：784.14
- Modify Date.: 2022-07-23 10:33
1. Names and Identifiers
- 1.1 Name
- (C5H5)Fe(C5H3(PCy2)CH(CH3)PtBu2)Pd(NH2)(para-anisyl)
- 1.2 CAS No.
- 909020-69-5
- 1.3 Molecular Formula
- C39H61FeNOP2Pd (isomer)
- 1.4 Inchi
- InChI=1/C27H47P2.C7H7O.C5H5.Fe.H2N.Pd/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-8-7-5-3-2-4-6-7;1-2-4-5-3-1;;;/h14,19-23H,8-13,15-18H2,1-7H3;3-6H,1H3;1-5H;;1H2;/q3*-1;+2;-1;+2
- 1.5 InChIkey
- LTCAJSFUCXXGBD-UHFFFAOYNA-N
- 1.6 Canonical Smiles
- [Fe++]123456789[CH]%10=[CH]1[CH]2=[C]31[C-]4%10[P]([Pd++]([NH2-])([C-]2=CC=C(C=C2)OC)[P](C(C)(C)C)(C(C)(C)C)C1(C)[H])(C1CCCCC1)C1CCCCC1.[CH]51=[CH]6[CH]7=[CH]8[CH-]91
- 1.7 Isomers Smiles
- [Fe++]123456789[CH]%10=[CH]1[CH]2=[C]31[C-]4%10[P]([Pd++]([NH2-])([C-]2=CC=C(C=C2)OC)[P](C(C)(C)C)(C(C)(C)C)C1(C)[H])(C1CCCCC1)C1CCCCC1.[CH]51=[CH]6[CH]7=[CH]8[CH-]91
2. Properties
- 2.1 PSA
- 60.26000
- 2.1 logP
- 10.92810
4. Realated Product Infomation
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