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137206-73-6 molecular structure
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5-bromo-7-ethyl-1-benzofuran-2-carbaldehyde

ChemBase ID: 162875
Molecular Formular: C11H9BrO2
Molecular Mass: 253.09196
Monoisotopic Mass: 251.97859153
SMILES and InChIs

SMILES:
c1(cc(cc2c1oc(c2)C=O)Br)CC
Canonical SMILES:
CCc1cc(Br)cc2c1oc(c2)C=O
InChI:
InChI=1S/C11H9BrO2/c1-2-7-3-9(12)4-8-5-10(6-13)14-11(7)8/h3-6H,2H2,1H3
InChIKey:
QWORBQILFUGMSQ-UHFFFAOYSA-N

Cite this record

CBID:162875 http://www.chembase.cn/molecule-162875.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-7-ethyl-1-benzofuran-2-carbaldehyde
IUPAC Traditional name
5-bromo-7-ethyl-1-benzofuran-2-carbaldehyde
Synonyms
5-Bromo-7-ethyl-2-benzofurancarboxaldehyde
5-Bromo-7-ethyl-2-formyl-benzofuran
CAS Number
137206-73-6
PubChem SID
162257010
PubChem CID
15161749

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC B684245 external link Add to cart
PubChem 15161749 external link
Data Source Data ID Price
TRC
B684245 external link Add to cart Please log in.
Data Source Data ID
PubChem 15161749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4916153  LogD (pH = 7.4) 3.4916153 
Log P 3.4916153  Molar Refractivity 58.6256 cm3
Polarizability 22.954283 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ether expand Show data source
Apperance
Yellow Solid expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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