3,5-Di-T-butylphenylboronic acid

C₁₄H₂₃BO₂CAS 197223-39-5234.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₃BO₂
Molar mass: 234.15 g/mol
Exact mass: 234.1791 Da
logP: 1.96Crippen 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

197223-39-5

SMILES

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

InChIKey

RPCBIEHUQSGPNA-UHFFFAOYSA-N

InChI

InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3

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Names and synonyms

1 names

(3,5-Di-tert-butylphenyl)boronic acid

Work with 3,5-Di-T-butylphenylboronic 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-tert-Butylphenyl)boronic acid560132-24-364 % similar 4-tert-Butylphenylboronic acid123324-71-062 % similar 1,3,5-Tri-tert-butylbenzene1460-02-257 % similar 3,5-Bis-trifluoromethylphenylboronic acid73852-19-456 % similar 3,5-Di-tert-butylphenol1138-52-950 % similar 3,5-Di-tert-butyltoluene15181-11-046 % similar (3,5-Dimethylphenyl)boronic acid172975-69-844 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-944 % similar

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

Elsewhere

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