3-Fluoro-5-methylbenzeneboronic acid

C₇H₈BFO₂CAS 850593-06-5153.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

850593-06-5

SMILES

B(C1=CC(=CC(=C1)F)C)(O)O

InChIKey

QQPLHUGOUZKARP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3

Weigh it out

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

Work with 3-Fluoro-5-methylbenzeneboronic 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

(3,5-Difluorophenyl)boronic acid156545-07-268 % similar 3,5-Dimethylphenylboronic acid172975-69-868 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-762 % similar 3,5-Difluorotoluene117358-51-756 % similar 5-Fluoro-M-xylene461-97-256 % similar 3-Chloro-5-fluorophenylboronic acid328956-61-255 % similar 3-Fluoro-5-methoxyphenylboronic acid609807-25-255 % similar 3-Fluoro-5-methylphenol216976-31-752 % 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 3-Fluoro-4-methylphenylboronic acid168267-99-0 2-Fluoro-4-methylphenylboronic acid170981-26-7

Elsewhere

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