2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₂H₁₆BFO₂CAS 214360-58-4222.07 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₆BFO₂
Molar mass: 222.07 g/mol
Exact mass: 222.1227 Da
logP: 2.12Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

214360-58-4

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)F

InChIKey

SBWKQMCGTSWDPE-UHFFFAOYSA-N

InChI

InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3

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Names and synonyms

1 names

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)fluorobenzene

Work with 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-867 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-862 % similar Phenylboronic acid pinacol ester24388-23-661 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-360 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-360 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-458 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-758 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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