2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C₁₃H₁₅BFNO₂CAS 870238-67-8247.08 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester Nitrile

Properties

Molecular formula: C₁₃H₁₅BFNO₂
Molar mass: 247.08 g/mol
Exact mass: 247.1180 Da
logP: 2.00Crippen estimate
Polar surface area: 42.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

870238-67-8

SMILES

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

InChIKey

DMJGKVYFBOCENL-UHFFFAOYSA-N

InChI

InChI=1S/C13H15BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3

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Work with 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

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Similar compounds

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-258 % similar 2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819058-34-957 % similar 4-Cyano-3-fluorophenylboronic acid843663-18-356 % similar (3-Cyanophenyl)boronic acid pinacol ester214360-46-056 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-653 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-053 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-253 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-63-751 % similar

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

Elsewhere

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