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1204580-75-5 molecular structure
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4-fluoro-3,5-bis(tributylstannyl)pyridine

ChemBase ID: 64413
Molecular Formular: C29H56FNSn2
Molecular Mass: 675.1620432
Monoisotopic Mass: 677.24406702
SMILES and InChIs

SMILES:
c1(c([Sn](CCCC)(CCCC)CCCC)cncc1[Sn](CCCC)(CCCC)CCCC)F
Canonical SMILES:
CCCC[Sn](c1cncc(c1F)[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
InChI:
InChI=1S/C5H2FN.6C4H9.2Sn/c6-5-1-3-7-4-2-5;6*1-3-4-2;;/h3-4H;6*1,3-4H2,2H3;;
InChIKey:
BULNDTVEVKSTDB-UHFFFAOYSA-N

Cite this record

CBID:64413 http://www.chembase.cn/molecule-64413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-3,5-bis(tributylstannyl)pyridine
IUPAC Traditional name
4-fluoro-3,5-bis(tributylstannyl)pyridine
Synonyms
4-Fluoro-3,5-bis(tributylstannyl)pyridine
CAS Number
1204580-75-5
MDL Number
MFCD10699174
PubChem SID
162030152
PubChem CID
44118235

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 44118235 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.862882  LogD (pH = 7.4) 7.039861 
Log P 7.0428  Molar Refractivity 139.7815 cm3
Polarizability 64.023026 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 20  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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