2-Acetylphenylboronic acid

C8H9BO3CAS 308103-40-4163.97 g/mol

Open in Covalent MOL file
OBOHHO
Boronic acidKetone

Properties

Molecular formula
C8H9BO3
Molar mass
163.97 g/mol
Exact mass
164.0645 Da
logP
-0.43Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
308103-40-4
SMILES
CC(=O)c1ccccc1B(O)O
InChIKey
ZKAOVABYLXQUTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(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

4 names
  • Boronic acid, B-(2-acetylphenyl)-
  • Boronic acid, (2-acetylphenyl)-
  • B-(2-Acetylphenyl)boronic acid
  • 2-Acetylbenzeneboronic acid

Work with 2-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

2-Carboxyphenylboronic acid149105-19-159 % similar 1,2-Diacetylbenzene704-00-759 % similar (2-Aminocarbonylphenyl)boronic acid380430-54-658 % similar 1-Methyl 2-boronobenzoate374538-03-157 % similar 2'-Hydroxyacetophenone104809-67-853 % similar 2′-Hydroxyacetophenone118-93-453 % similar 2-(Ethoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)380430-53-553 % similar 2-Acetylbenzoic acid577-56-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Acetylphenylboronic acid149104-90-5 3-Acetylphenylboronic acid204841-19-0 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-3

Elsewhere

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