2-Fluoro-5-acetylphenylboronic acid

C₈H₈BFO₃CAS 870777-29-0181.96 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ketone

Properties

Molecular formula: C₈H₈BFO₃
Molar mass: 181.96 g/mol
Exact mass: 182.0551 Da
logP: -0.29Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

870777-29-0

SMILES

CC(=O)c1ccc(F)c(B(O)O)c1

InChIKey

FQVNUEBNRAIKBR-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(5-acetyl-2-fluorophenyl)-
Boronic acid, (5-acetyl-2-fluorophenyl)-
B-(5-Acetyl-2-fluorophenyl)boronic acid
(5-Acetyl-2-fluorophenyl)boronic acid

Work with 2-Fluoro-5-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

3-Borono-4-fluorobenzoic acid874219-59-765 % similar 1-(3,4-Difluorophenyl)ethanone369-33-562 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-455 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-255 % similar 4-Acetylphenylboronic acid149104-90-553 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-053 % similar 2-Acetylphenylboronic acid308103-40-450 % similar 1-(4-Fluoro-3-nitrophenyl)ethanone400-93-149 % similar

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

Elsewhere

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