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876062-39-4 molecular structure
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2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 812402
Molecular Formular: C12H16BFO2
Molecular Mass: 222.0636432
Monoisotopic Mass: 222.12273837
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1c(cccc1)F
Canonical SMILES:
Fc1ccccc1B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChIKey:
RZYXBJMVAFMMLQ-UHFFFAOYSA-N

Cite this record

CBID:812402 http://www.chembase.cn/molecule-812402.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
2-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
CAS Number
876062-39-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32486 external link Add to cart
Data Source Data ID Price
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AJA-O32486 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 18.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.0399 
LogD (pH = 7.4) 4.0399  Log P 4.0399 
Molar Refractivity 55.9295 cm3 Polarizability 23.654129 Å3

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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