3-Cyano-4-fluorophenylboronic acid

C₇H₅BFNO₂CAS 214210-21-6164.93 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Nitrile

Properties

Molecular formula: C₇H₅BFNO₂
Molar mass: 164.93 g/mol
Exact mass: 165.0397 Da
logP: -0.62Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 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

214210-21-6

SMILES

B(C1=CC(=C(C=C1)F)C#N)(O)O

InChIKey

OLKIYJDSLMKNLC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BFNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H

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Names and synonyms

1 names

3-Cyano-4-fluorobenzeneboronic acid

Work with 3-Cyano-4-fluorophenylboronic acid

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

(3,4-Difluorophenyl)boronic acid168267-41-258 % similar 2,5-Difluorobenzonitrile64248-64-255 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-651 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-951 % similar 5-Bromo-2-fluorobenzonitrile179897-89-351 % similar 2-Fluoro-5-iodobenzonitrile351003-36-651 % similar 5-Amino-2-fluorobenzonitrile53312-81-551 % similar 5-Chloro-2-fluorobenzonitrile57381-34-751 % similar

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

Same formula

B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-1 5-Cyano-2-fluorobenzeneboronic acid468718-30-1 4-Cyano-3-fluorophenylboronic acid843663-18-3

Elsewhere

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