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374790-98-4 molecular structure
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(2-fluoro-4-iodophenyl)boronic acid

ChemBase ID: 813626
Molecular Formular: C6H5BFIO2
Molecular Mass: 265.8165732
Monoisotopic Mass: 265.94113602
SMILES and InChIs

SMILES:
B(O)(O)c1c(cc(cc1)I)F
Canonical SMILES:
Ic1ccc(c(c1)F)B(O)O
InChI:
InChI=1S/C6H5BFIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,10-11H
InChIKey:
WLIKCRRAILNHLS-UHFFFAOYSA-N

Cite this record

CBID:813626 http://www.chembase.cn/molecule-813626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-4-iodophenyl)boronic acid
IUPAC Traditional name
2-fluoro-4-iodophenylboronic acid
Synonyms
2-FLUORO-4-IODOPHENYLBORONIC ACID
CAS Number
374790-98-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35587 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35587 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.169266  H Acceptors
H Donor LogD (pH = 5.5) 2.768976 
LogD (pH = 7.4) 2.7019973  Log P 2.7699 
Molar Refractivity 44.1824 cm3 Polarizability 18.62988 Å3
Polar Surface Area 40.46 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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