3-Fluoro-2-methylphenylboronic Acid

C7H8BFO2CAS 163517-61-1153.95 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
163517-61-1
SMILES
B(C1=C(C(=CC=C1)F)C)(O)O
InChIKey
NYBIUWJUWTUGFV-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BFO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3

Weigh it out

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Names and synonyms

1 names
  • 2-Methyl-3-fluoro-phenylboronic acid

Work with 3-Fluoro-2-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

(2,3-Difluorophenyl)boronic acid121219-16-766 % similar 2-Fluorophenylboronic acid1993-03-961 % similar 2,3-Dimethylphenylboronic acid183158-34-160 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-158 % similar 1,3-Difluoro-2-methylbenzene443-84-558 % similar 2,6-Difluorophenylboronic acid162101-25-952 % similar 3-Fluoro-2-methylphenol443-87-852 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-751 % 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 5-Fluoro-2-methylphenylboronic acid163517-62-2 2-Fluoro-5-methylphenylboronic acid166328-16-1 3-Fluoro-4-methylphenylboronic acid168267-99-0 2-Fluoro-4-methylphenylboronic acid170981-26-7 3-Fluoro-5-methylbenzeneboronic acid850593-06-5

Elsewhere

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