(4-Formyl-1-naphthalene)boronic acid

C₁₁H₉BO₃CAS 332398-52-4200.00 g/mol

Open in Covalent MOL file

Aldehyde Boronic acid

Properties

Molecular formula: C₁₁H₉BO₃
Molar mass: 200.00 g/mol
Exact mass: 200.0645 Da
logP: 0.33Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

332398-52-4

SMILES

B(C1=CC=C(C2=CC=CC=C12)C=O)(O)O

InChIKey

KBHGTTWVFRLPRO-UHFFFAOYSA-N

InChI

InChI=1S/C11H9BO3/c13-7-8-5-6-11(12(14)15)10-4-2-1-3-9(8)10/h1-7,14-15H

Weigh it out

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

Work with (4-Formyl-1-naphthalene)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

2-Formylphenylboronic acid40138-16-763 % similar 4-Hydroxy-1-naphthaldehyde7770-45-856 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-953 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-450 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-650 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-450 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-850 % similar 4-Methyl-1-naphthaldehyde33738-48-650 % similar

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

Elsewhere

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