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1131335-72-2 molecular structure
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6-bromo-2-(trimethylsilyl)furo[3,2-b]pyridine

ChemBase ID: 33029
Molecular Formular: C10H12BrNOSi
Molecular Mass: 270.19788
Monoisotopic Mass: 268.98715254
SMILES and InChIs

SMILES:
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)Br
Canonical SMILES:
Brc1cnc2c(c1)oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C10H12BrNOSi/c1-14(2,3)10-5-8-9(13-10)4-7(11)6-12-8/h4-6H,1-3H3
InChIKey:
IXYOZGPZWPDQKP-UHFFFAOYSA-N

Cite this record

CBID:33029 http://www.chembase.cn/molecule-33029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
IUPAC Traditional name
6-bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
Synonyms
6-Bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
6-Bromo-2-(trimethylsilyl)furo[3,2-b]pyridine
CAS Number
1131335-72-2
MDL Number
MFCD11857748
PubChem SID
160996336
PubChem CID
23016561

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23016561 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7316697  LogD (pH = 7.4) 3.7316997 
Log P 3.7317  Molar Refractivity 55.3099 cm3
Polarizability 25.013422 Å3 Polar Surface Area 26.03 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)
C10H12BrNOSi expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001141 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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INTERNET

INTERNET

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