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1171920-23-2 molecular structure
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6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine

ChemBase ID: 44947
Molecular Formular: C14H20BrNO2Si
Molecular Mass: 342.3036
Monoisotopic Mass: 341.04466742
SMILES and InChIs

SMILES:
c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)Br
Canonical SMILES:
Brc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C14H20BrNO2Si/c1-14(2,3)19(4,5)17-9-11-7-12-13(18-11)6-10(15)8-16-12/h6-8H,9H2,1-5H3
InChIKey:
BWBCLDRXKTZAQX-UHFFFAOYSA-N

Cite this record

CBID:44947 http://www.chembase.cn/molecule-44947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine
IUPAC Traditional name
6-bromo-2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine
Synonyms
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridine
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine
CAS Number
1171920-23-2
MDL Number
MFCD12401656
PubChem SID
162049710
PubChem CID
46737912

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737912 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9967809  LogD (pH = 7.4) 3.9967997 
Log P 3.9968  Molar Refractivity 76.5345 cm3
Polarizability 33.05687 Å3 Polar Surface Area 35.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C14H20BrNO2Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001149 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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