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1154043-20-5 molecular structure
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λ2-iron(2+) ion bis(3-[bis(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide) dibromopalladium

ChemBase ID: 295070
Molecular Formular: C22H36Br2FeP2Pd
Molecular Mass: 684.541762
Monoisotopic Mass: 681.90432191
SMILES and InChIs

SMILES:
C(C)(C)P(C1=C[CH-]C=C1)C(C)C.C1(=C[CH-]C=C1)P(C(C)C)C(C)C.[Fe+2].[Pd](Br)Br
Canonical SMILES:
CC(P(C1=C[CH-]C=C1)C(C)C)C.CC(P(C1=C[CH-]C=C1)C(C)C)C.Br[Pd]Br.[Fe+2]
InChI:
InChI=1S/2C11H18P.2BrH.Fe.Pd/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;;/h2*5-10H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKey:
WRFVJODHOJEWTD-UHFFFAOYSA-L

Cite this record

CBID:295070 http://www.chembase.cn/molecule-295070.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ2-iron(2+) ion bis(3-[bis(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide) dibromopalladium
IUPAC Traditional name
λ2-iron(2+) ion bis(3-(diisopropylphosphanyl)cyclopenta-2,4-dien-1-ide) dibromopalladium
Synonyms
PdBr2(dippf)
[1,1'-Bis(diisopropylphosphino)ferrocene]dibromopalladium(II)
Dibromo[1,1'-bis(diisopropylphosphino)ferrocene]palladium(II)
CAS Number
1154043-20-5
PubChem SID
180680601
PubChem CID
73994981

DATA SOURCES

DATA SOURCES

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Alfa Aesar
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Data Source Data ID
PubChem 73994981 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.972416  H Acceptors
H Donor LogD (pH = 5.5) 1.794616 
LogD (pH = 7.4) 1.8679593  Log P 3.6708 
Molar Refractivity 55.9611 cm3 Polarizability 22.514492 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline solid expand Show data source
TSCA Listed
expand Show data source
Purity
Pd 15.5% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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