B-(3-Cyano-5-fluorophenyl)boronic acid

C₇H₅BFNO₂CAS 304858-67-1164.93 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

Identifiers

CAS number

304858-67-1

SMILES

N#Cc1cc(F)cc(B(O)O)c1

InChIKey

DLYWCECHXBOCAS-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Boronic acid, B-(3-cyano-5-fluorophenyl)-
Boronic acid, (3-cyano-5-fluorophenyl)-
3-Cyano-5-fluorobenzeneboronic acid
5-Fluoro-3-cyanophenylboronic acid
(3-Cyano-5-fluorophenyl)boronic acid
3-Fluoro-5-cyanophenylboronic acid

Work with B-(3-Cyano-5-fluorophenyl)boronic 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

(3,5-Difluorophenyl)boronic acid156545-07-261 % similar 3,5-Difluorobenzonitrile64248-63-161 % similar 3-Cyanophenylboronic acid150255-96-253 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-752 % similar 4-Cyanophenylboronic acid126747-14-650 % similar 3-Bromo-5-fluorobenzonitrile179898-34-150 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-646 % similar 3-Fluorobenzonitrile403-54-345 % similar

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

Elsewhere

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