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317830-83-4 molecular structure
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(1-benzofuran-3-yl)boronic acid

ChemBase ID: 810338
Molecular Formular: C8H7BO3
Molecular Mass: 161.95038
Monoisotopic Mass: 162.04882448
SMILES and InChIs

SMILES:
B(O)(O)c1coc2c1cccc2
Canonical SMILES:
OB(c1coc2c1cccc2)O
InChI:
InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKey:
DFUGYZQSDFQVPU-UHFFFAOYSA-N

Cite this record

CBID:810338 http://www.chembase.cn/molecule-810338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-benzofuran-3-yl)boronic acid
IUPAC Traditional name
1-benzofuran-3-ylboronic acid
Synonyms
BENZOFURAN-3-BORONIC ACID
CAS Number
317830-83-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28805 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O28805 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.01833  H Acceptors
H Donor LogD (pH = 5.5) 1.9172925 
LogD (pH = 7.4) 1.8253083  Log P 1.9186 
Molar Refractivity 39.4446 cm3 Polarizability 17.918755 Å3
Polar Surface Area 53.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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