(4-Chlorocarbonylphenyl)boronic anhydride

C₇H₆BClO₃CAS 332154-57-1184.38 g/mol

Open in Covalent MOL file

Acyl halide Boronic acid

Properties

Molecular formula: C₇H₆BClO₃
Molar mass: 184.38 g/mol
Exact mass: 184.0099 Da
logP: -0.25Crippen 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

332154-57-1

SMILES

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

InChIKey

ARKQVAQLGLIPAU-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-Chlorocarbonylphenylboronic acid

Work with (4-Chlorocarbonylphenyl)boronic 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

Terephthaloyl chloride100-20-963 % similar 4-Carbamoylphenylboronic acid123088-59-557 % similar 4-Carboxyphenylboronic acid14047-29-157 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-356 % similar 4-Acetylphenylboronic acid149104-90-555 % similar 4-Chlorobenzoyl chloride122-01-052 % similar 4-(Methylcarbamoyl)benzeneboronic acid121177-82-050 % similar 4-Iodobenzoyl chloride1711-02-050 % similar

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

Same formula

5-Chloro-2-formylphenylboronic acid870238-36-1 4-Chloro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)913835-76-4

Elsewhere

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