chempirical

2-Fluoro-5-methylphenylboronic acid

C7H8BFO2CAS 166328-16-1153.95 g/mol

Open in Covalent MOL file
BFHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C7H8BFO2
Molar mass
153.95 g/mol
Exact mass
154.0601 Da
logP
-0.19Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
166328-16-1
SMILES
B(C1=C(C=CC(=C1)C)F)(O)O
InChIKey
ZLODKAZZRDLUKX-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BFO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Fluoro-5-methylbenzeneboronic acid

Work with 2-Fluoro-5-methylphenylboronic 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-Fluoro-5-methoxyphenylboronic acid406482-19-756 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-055 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-353 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-753 % similar (2,4,5-Trifluorophenyl)boronic acid247564-72-352 % similar 2-Fluoro-5-acetylphenylboronic acid870777-29-051 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-449 % similar 3-Borono-4-fluorobenzoic acid874219-59-749 % similar

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

Same formula

4-Fluoro-3-methylphenylboronic acid139911-27-6 (4-Fluoro-2-methylphenyl)boronic acid139911-29-8 3-Fluoro-2-methylphenylboronic Acid163517-61-1 5-Fluoro-2-methylphenylboronic acid163517-62-2 3-Fluoro-4-methylphenylboronic acid168267-99-0 2-Fluoro-4-methylphenylboronic acid170981-26-7

Elsewhere

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