4-Acetylphenylboronic acid

C₈H₉BO₃CAS 149104-90-5163.97 g/mol

Open in Covalent MOL file

Boronic acid Ketone

Properties

Molecular formula: C₈H₉BO₃
Molar mass: 163.97 g/mol
Exact mass: 164.0645 Da
Melting point: 231–233 °C
logP: -0.43Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

149104-90-5

SMILES

CC(=O)c1ccc(B(O)O)cc1

InChIKey

OBQRODBYVNIZJU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-(4-acetylphenyl)-
Boronic acid, (4-acetylphenyl)-
B-(4-Acetylphenyl)boronic acid
4-Acetylbenzeneboronic acid
p-Acetylphenylboronic acid

Work with 4-Acetylphenylboronic 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

1,4-Diacetylbenzene1009-61-663 % similar 4-Carbamoylphenylboronic acid123088-59-557 % similar 4-Carboxyphenylboronic acid14047-29-157 % similar Piceol99-93-455 % similar 4-(Methylcarbamoyl)benzeneboronic acid121177-82-055 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-455 % similar 4-Acetylbenzoic acid586-89-053 % similar 2-Fluoro-5-acetylphenylboronic acid870777-29-053 % similar

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

Same formula

2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-3 2-Acetylphenylboronic acid308103-40-4

Elsewhere

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