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15388-48-4 molecular structure
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iron(2+) ion tris(2-(pyridin-2-yl)pyridine) diperchlorate

ChemBase ID: 107879
Molecular Formular: C30H24Cl2FeN6O8
Molecular Mass: 723.29796
Monoisotopic Mass: 722.03820462
SMILES and InChIs

SMILES:
[Fe+2].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1
Canonical SMILES:
c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Fe+2]
InChI:
InChI=1S/3C10H8N2.2ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKey:
JJFYRRXOZJMNFC-UHFFFAOYSA-L

Cite this record

CBID:107879 http://www.chembase.cn/molecule-107879.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
iron(2+) ion tris(2-(pyridin-2-yl)pyridine) diperchlorate
IUPAC Traditional name
iron ion(2+) tris(bipyridyl) diperchlorate ion
Synonyms
2,2'-BIPYRIDINE FERROUS PERCHLORATE
CAS Number
15388-48-4
EC Number
239-412-2
PubChem SID
162089112
PubChem CID
84889

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05205298 external link Add to cart Please log in.
Data Source Data ID
PubChem 84889 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9542185  LogD (pH = 7.4) 1.956794 
Log P 1.9568269  Molar Refractivity 46.1364 cm3
Polarizability 19.578226 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:36/37/38 expand Show data source
Safety Statements
S:20-25-26-37/39 expand Show data source
Grade
USP expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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