4-Benzyloxy-2-formylphenylboronic acid

C₁₄H₁₃BO₄CAS 139962-97-3256.06 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid Ether

Properties

Molecular formula: C₁₄H₁₃BO₄
Molar mass: 256.06 g/mol
Exact mass: 256.0907 Da
logP: 0.76Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Identifiers

CAS number

139962-97-3

SMILES

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

InChIKey

XRARNEIDTRHXKN-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-Benzyloxy-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-Benzyloxy-2-formylphenylboronic 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

5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-654 % similar 4-(Benzyloxy)benzaldehyde4397-53-952 % similar 3-Benzyloxyphenylboronic acid156682-54-152 % similar 3-Benzyloxybenzaldehyde1700-37-452 % similar 3,5-Dibenzyloxybenzaldehyde14615-72-651 % similar 2-(Benzyloxy)benzaldehyde5896-17-349 % similar B-(4-Chloro-2-formylphenyl)boronic acid913835-76-448 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-946 % similar

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

Same formula

(4-Benzyloxycarbonylphenyl)boronic acid184000-11-1 1-(Phenylmethyl) 3-boronobenzoate380430-52-4

Elsewhere

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