4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

C₁₄H₁₉BO₄CAS 480424-70-2262.11 g/mol

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Boronic ester Ester

Properties

Molecular formula: C₁₄H₁₉BO₄
Molar mass: 262.11 g/mol
Exact mass: 262.1376 Da
logP: 1.91Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

480424-70-2

SMILES

CC(=O)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

InChIKey

KHBAJCWEQNVCSN-UHFFFAOYSA-N

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

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Names and synonyms

3 names

Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-acetate
Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, acetate
4-(4,4,5,5-Tetramethyl-1,3-dioxaboran-2-yl)phenyl acetate

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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

2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-756 % similar Bisphenol A diacetate10192-62-854 % similar 4-Methylphenyl acetate140-39-650 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-850 % similar 4-Formylphenylboronic acid pinacol ester128376-64-749 % similar p-Aminophenyl acetate13871-68-649 % similar 4-Fluorophenyl acetate405-51-649 % similar Phenyl acetate122-79-249 % similar

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

Same formula

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-0

Elsewhere

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