4-Cyanophenylboronic acid

C₇H₆BNO₂CAS 126747-14-6146.94 g/mol

Open in Covalent MOL file

Boronic acid Nitrile

Properties

Molecular formula: C₇H₆BNO₂
Molar mass: 146.94 g/mol
Exact mass: 147.0492 Da
Melting point: 280 °C
logP: -0.76Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

126747-14-6

SMILES

N#Cc1ccc(B(O)O)cc1

InChIKey

CEBAHYWORUOILU-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(4-cyanophenyl)-
Boronic acid, (4-cyanophenyl)-
B-(4-Cyanophenyl)boronic acid
4-Cyanobenzeneboronic acid
4-Cyanophenylboric acid
(p-Cyanophenyl)boronic acid

Work with 4-Cyanophenylboronic 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

1,4-Dicyanobenzene623-26-757 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-650 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-150 % similar 4-Cyanophenol767-00-050 % similar Phenylboronic acid98-80-650 % similar (4-Hydroxyphenyl)boronic acid71597-85-846 % similar Benzonitrile100-47-046 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-245 % similar

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

Same formula

2-Cyanophenylboronic acid138642-62-3 3-Cyanophenylboronic acid150255-96-2

Elsewhere

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