3-Chloro-4-ethoxyphenylboronic acid

C₈H₁₀BClO₃CAS 279261-81-3200.43 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₈H₁₀BClO₃
Molar mass: 200.43 g/mol
Exact mass: 200.0412 Da
logP: 0.42Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

279261-81-3

SMILES

CCOc1ccc(B(O)O)cc1Cl

InChIKey

QZMQZKMQXURQNC-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(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-chloro-4-ethoxyphenyl)-
Boronic acid, (3-chloro-4-ethoxyphenyl)-
B-(3-Chloro-4-ethoxyphenyl)boronic acid

Work with 3-Chloro-4-ethoxyphenylboronic 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

B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-459 % similar 2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 1-Chloro-2-ethoxybenzene614-72-254 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-554 % similar B-(3-Chloro-4-methylphenyl)boronic acid175883-63-351 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-351 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-449 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-349 % similar

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

Same formula

5-Chloro-2-ethoxyphenylboronic acid352534-86-2

Elsewhere

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