4-Chloro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

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

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

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

4 names

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

Work with 4-Chloro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

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

4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)825644-26-660 % similar 2-Formylphenylboronic acid40138-16-756 % similar 5-Chlorosalicylaldehyde635-93-856 % similar 4-Methoxy-2-formylphenylboronic acid139962-95-155 % similar 2,5-Dichlorobenzaldehyde6361-23-555 % similar 2,4-Dichlorophenylboronic acid68716-47-255 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-053 % similar (4-Chloro-2-fluorophenyl)boronic acid160591-91-351 % similar

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

Same formula

(4-Chlorocarbonylphenyl)boronic anhydride332154-57-1 5-Chloro-2-formylphenylboronic acid870238-36-1

Elsewhere

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