B-(3-Ethoxy-4-fluorophenyl)boronic 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

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

3 names

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

Work with B-(3-Ethoxy-4-fluorophenyl)boronic 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

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 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 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-751 % similar 1-Ethoxy-2-fluorobenzene451-80-950 % similar

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

Same formula

3-Ethoxy-2-fluorophenylboronic acid855230-61-4

Elsewhere

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