(4-Benzyloxycarbonylphenyl)boronic acid

C₁₄H₁₃BO₄CAS 184000-11-1256.06 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₁₄H₁₃BO₄
Molar mass: 256.06 g/mol
Exact mass: 256.0907 Da
logP: 0.72Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Identifiers

CAS number

184000-11-1

SMILES

B(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)(O)O

InChIKey

UXSDJFGNRVVDFM-UHFFFAOYSA-N

InChI

InChI=1S/C14H13BO4/c16-14(19-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(17)18/h1-9,17-18H,10H2

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Names and synonyms

1 names

4-(Benzyloxycarbonyl)phenylboronic Acid

Work with (4-Benzyloxycarbonylphenyl)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

Benzyl 4-hydroxybenzoate94-18-866 % similar 4-(Ethoxycarbonyl)phenylboronic acid4334-88-762 % similar Benzyl phthalate523-31-954 % similar Benzyl nicotinate94-44-051 % similar Benzyl salicylate118-58-150 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-549 % similar Monobenzyl phthalate2528-16-749 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-447 % similar

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

Same formula

4-Benzyloxy-2-formylphenylboronic acid139962-97-3 1-(Phenylmethyl) 3-boronobenzoate380430-52-4

Elsewhere

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