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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

Weigh it out

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

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

4-Benzyloxy-2-fluorophenylboronic acid166744-78-161 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-061 % similar 4-Methoxy-2-formylphenylboronic acid139962-95-158 % similar 2-Methyl 4-benzyloxybenzaldehyde101093-56-558 % similar 4-Benzyloxy-2-methoxybenzaldehyde58026-14-555 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-654 % similar 6-(Benzyloxy)-1H-indole-3-carbaldehyde92855-64-653 % similar 4-Benzyloxy-phenylboronic acid146631-00-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Benzyloxycarbonylphenyl)boronic acid184000-11-1 3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)380430-52-4

Elsewhere

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