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57883-25-7 molecular structure
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3-bromo-2-ethoxypyridine

ChemBase ID: 71271
Molecular Formular: C7H8BrNO
Molecular Mass: 202.04852
Monoisotopic Mass: 200.97892588
SMILES and InChIs

SMILES:
c1cnc(c(c1)Br)OCC
Canonical SMILES:
CCOc1ncccc1Br
InChI:
InChI=1S/C7H8BrNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKey:
KLQBFCAXXZMOLZ-UHFFFAOYSA-N

Cite this record

CBID:71271 http://www.chembase.cn/molecule-71271.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2-ethoxypyridine
IUPAC Traditional name
3-bromo-2-ethoxypyridine
Synonyms
3-Bromo-2-ethoxypyridine
3-Bromo-2-ethoxypyridine
3-溴-2-乙氧基吡啶
CAS Number
57883-25-7
MDL Number
MFCD00234309
PubChem SID
162036861
PubChem CID
10987308

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3178916  LogD (pH = 7.4) 2.31792 
Log P 2.3179202  Molar Refractivity 43.0492 cm3
Polarizability 16.6635 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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