5-Chloro-2-formylphenylboronic acid

C₇H₆BClO₃CAS 870238-36-1184.38 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

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

870238-36-1

SMILES

B(C1=C(C=CC(=C1)Cl)C=O)(O)O

InChIKey

LVNPJTSTUBPCMK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Chloro-2-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

4-Chloro-2-hydroxybenzaldehyde2420-26-058 % similar (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)89488-25-558 % similar 2-Formylphenylboronic acid40138-16-756 % similar 5-Chlorosalicylaldehyde635-93-856 % similar 5-Methoxy-2-formylphenylboronic acid40138-18-955 % similar 2,5-Dichlorobenzeneboronic acid135145-90-355 % similar 2,4-Dichlorobenzaldehyde874-42-055 % similar 5-Chloro-2-methylphenylboronic acid148839-33-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Chlorocarbonylphenyl)boronic anhydride332154-57-1 4-Chloro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)913835-76-4

Elsewhere

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