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1244021-15-5 molecular structure
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2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 810230
Molecular Formular: C18H20BFO2
Molecular Mass: 298.1596032
Monoisotopic Mass: 298.1540385
SMILES and InChIs

SMILES:
O1B(OC(C1(C)C)(C)C)c1c(cc(cc1)c1ccccc1)F
Canonical SMILES:
Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)c1ccccc1
InChI:
InChI=1S/C18H20BFO2/c1-17(2)18(3,4)22-19(21-17)15-11-10-14(12-16(15)20)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKey:
GVDVTJCHDGZBAD-UHFFFAOYSA-N

Cite this record

CBID:810230 http://www.chembase.cn/molecule-810230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-(2-fluoro-4-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
2-(3-FLUOROBIPHENYL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number
1244021-15-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28535 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.7243  LogD (pH = 7.4) 5.7243 
Log P 5.7243  Molar Refractivity 81.0657 cm3
Polarizability 34.622402 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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