B-(4-Chloro-2-formylphenyl)boronic acid

C₇H₆BClO₃CAS 913835-76-4184.38 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Boronic acid

Properties

Molecular formula: C₇H₆BClO₃
Molar mass: 184.38 g/mol
Exact mass: 184.0099 Da
logP: -0.17Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

913835-76-4

SMILES

O=Cc1cc(Cl)ccc1B(O)O

InChIKey

BTQFQGHQBOWNAJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(4-chloro-2-formylphenyl)-
Boronic acid, (4-chloro-2-formylphenyl)-
4-Chloro-2-formylphenylboronic acid

Work with B-(4-Chloro-2-formylphenyl)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

5-Chlorosalicylaldehyde635-93-856 % similar 2,5-Dichlorobenzaldehyde6361-23-555 % similar 2,4-Dichlorobenzaldehyde874-42-050 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-847 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-947 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-447 % similar 5-Chloro-2-nitrobenzaldehyde6628-86-045 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-644 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook