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15656-28-7 molecular structure
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bis(pyridin-1-ium-1-yl)iodanuide; tetrafluoroboranuide

ChemBase ID: 12036
Molecular Formular: C10H10BF4IN2
Molecular Mass: 371.9088828
Monoisotopic Mass: 371.99178961
SMILES and InChIs

SMILES:
[B-](F)(F)(F)F.[I-]([n+]1ccccc1)[n+]1ccccc1
Canonical SMILES:
c1cc[n+](cc1)[I-][n+]1ccccc1.F[B-](F)(F)F
InChI:
InChI=1S/C10H10IN2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H;/q+1;-1
InChIKey:
BMDSRCBKJZCUBH-UHFFFAOYSA-N

Cite this record

CBID:12036 http://www.chembase.cn/molecule-12036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(pyridin-1-ium-1-yl)iodanuide; tetrafluoroboranuide
IUPAC Traditional name
bis(pyridin-1-ium-1-yl)iodanuide tetrafluoroborate
Synonyms
Bis(pyridine)iodonium tetrafluoroborate
CAS Number
15656-28-7
MDL Number
MFCD03703393
PubChem SID
160975343
PubChem CID
2734710

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 2734710 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 64.8818 cm3 Polar Surface Area 7.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
159-161°C(dec) expand Show data source
Storage Warning
MOISTURE SENSITIVE, KEEP COLD expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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