(3-tert-Butylphenyl)boronic acid

C₁₀H₁₅BO₂CAS 560132-24-3178.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅BO₂
Molar mass: 178.04 g/mol
Exact mass: 178.1165 Da
logP: 0.66Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

560132-24-3

SMILES

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

InChIKey

OKBOGYOXEDEGOG-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7,12-13H,1-3H3

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Names and synonyms

1 names

M-T-Butylphenylboronic acid

Work with (3-tert-Butylphenyl)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

3,5-Di-T-butylphenylboronic acid197223-39-564 % similar 3-Trifluoromethylphenylboronic acid1423-26-361 % similar 1,3-Di-tert-butylbenzene1014-60-458 % similar 1,3-Benzenediboronic acid4612-28-658 % similar 3-Methylphenylboronic acid17933-03-852 % similar 3-tert-Butylphenol585-34-252 % similar 3-Chlorophenylboronic acid63503-60-648 % similar 3-Fluorophenylboronic acid768-35-448 % similar

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

Same formula

4-tert-Butylphenylboronic acid123324-71-0 4-Butylphenylboronic acid145240-28-4 (4-Isobutylphenyl)boronic acid153624-38-5 2,3,5,6-Tetramethylphenylboronic acid197223-36-2

Elsewhere

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