3-Formylphenylboronic acid

C₇H₇BO₃CAS 87199-16-4149.94 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid

Properties

Molecular formula: C₇H₇BO₃
Molar mass: 149.94 g/mol
Exact mass: 150.0488 Da
Melting point: 112 °C
logP: -0.82Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

87199-16-4

SMILES

O=Cc1cccc(B(O)O)c1

InChIKey

HJBGZJMKTOMQRR-UHFFFAOYSA-N

InChI

InChI=1S/C7H7BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5,10-11H

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(3-formylphenyl)-
Boronic acid, (3-formylphenyl)-
Benzeneboronic acid, m-formyl-
B-(3-Formylphenyl)boronic acid
m-Formylphenylboronic acid
(3-Formylbenzene)boronic acid

Work with 3-Formylphenylboronic 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-Vinylphenyl)boronic acid15016-43-061 % similar 3-Hydroxybenzaldehyde100-83-452 % similar 3-Fluorobenzaldehyde456-48-448 % similar 3-Fluorophenylboronic acid768-35-448 % similar (3-Hydroxyphenyl)boronic acid87199-18-648 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-647 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-047 % similar 3-Methylphenylboronic acid17933-03-847 % similar

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

Same formula

4-Formylphenylboronic acid87199-17-5

Elsewhere

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