2,3,5,6-Tetramethylphenylboronic acid

C₁₀H₁₅BO₂CAS 197223-36-2178.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅BO₂
Molar mass: 178.04 g/mol
Exact mass: 178.1165 Da
logP: 0.60Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

197223-36-2

SMILES

B(C1=C(C(=CC(=C1C)C)C)C)(O)O

InChIKey

BCMVUEOVWMZJBS-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO2/c1-6-5-7(2)9(4)10(8(6)3)11(12)13/h5,12-13H,1-4H3

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

Names and synonyms

1 names

(2,3,5,6-Tetramethylphenyl)boronic acid

Work with 2,3,5,6-Tetramethylphenylboronic 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

Pentamethylbenzene700-12-950 % similar 2,3-Dimethylphenylboronic acid183158-34-143 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-342 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-039 % similar 2-Methylphenylboronic acid16419-60-638 % similar 4-Bromo-2,5-dimethylphenylboronic acid130870-00-738 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-838 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-337 % 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

Elsewhere

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