3-Ethoxy-4-fluorobenzeneboronic acid

C₈H₁₀BFO₃CAS 900174-65-4183.97 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₁₀BFO₃
Molar mass: 183.97 g/mol
Exact mass: 184.0707 Da
logP: -0.10Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

900174-65-4

SMILES

CCOc1cc(B(O)O)ccc1F

InChIKey

IGAMLTGCYDPORS-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BFO3/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5,11-12H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

B-(3-Ethoxy-4-fluorophenyl)boronic acid
Boronic acid, B-(3-ethoxy-4-fluorophenyl)-
Boronic acid, (3-ethoxy-4-fluorophenyl)-
3-Ethoxy-4-fluorophenylboronic acid

Work with 3-Ethoxy-4-fluorobenzeneboronic 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-Fluoro-4-propoxyphenylboronic acid192376-68-464 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-764 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-359 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-659 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-655 % similar 1-Ethyl 5-borono-2-fluorobenzoate874219-36-055 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-554 % similar (3,4-Difluorophenyl)boronic acid168267-41-253 % similar

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

Same formula

4-Ethoxy-3-fluorophenylboronic acid279263-10-4 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-2 3-Ethoxy-2-fluorophenylboronic acid855230-61-4

Elsewhere

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