3-Fluoro-5-methoxyphenylboronic acid

C₇H₈BFO₃CAS 609807-25-2169.95 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BFO₃
Molar mass: 169.95 g/mol
Exact mass: 170.0551 Da
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

609807-25-2

SMILES

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

InChIKey

MQFKLCWETPKBCH-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

1 names

(3-Fluoro-5-methoxyphenyl)boronic acid

Work with 3-Fluoro-5-methoxyphenylboronic 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-Dimethoxyphenylboronic acid192182-54-071 % similar (3,5-Difluorophenyl)boronic acid156545-07-261 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-661 % similar 1,3-Difluoro-5-methoxybenzene93343-10-361 % similar 3-Fluoro-5-(isobutoxy)benzeneboronic acid850589-57-059 % similar 3-Chloro-5-methoxybenzeneboronic acid915201-07-959 % similar 3-Fluoro-5-methylbenzeneboronic acid850593-06-555 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methoxybenzeneboronic acid149507-26-6 (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-7 5-Fluoro-2-methoxyphenylboronic acid179897-94-0 (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-1 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 2-Fluoro-5-methoxyphenylboronic acid406482-19-7 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid481681-02-1 2-Fluoro-6-methoxyphenylboronic acid78495-63-3

Elsewhere

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