chempirical

3-Fluoro-4-methylphenylboronic acid

C7H8BFO2CAS 168267-99-0153.95 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
168267-99-0
SMILES
B(C1=CC(=C(C=C1)C)F)(O)O
InChIKey
WPVBHUUZDFUIJA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3

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

Names and synonyms

1 names
  • 3-Fluoro-4-methylbenzeneboronic acid

Work with 3-Fluoro-4-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

(3,4-Difluorophenyl)boronic acid168267-41-264 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-356 % similar 3-Fluoro-4-methylphenol452-78-852 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-751 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-950 % similar 2,4-Difluoro-1-methylbenzene452-76-650 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-449 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-649 % 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 2-Fluoro-5-methylphenylboronic acid166328-16-1 2-Fluoro-4-methylphenylboronic acid170981-26-7

Elsewhere

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