(4-Methyl-1-naphthalene)boronic acid

C₁₁H₁₁BO₂CAS 103986-53-4186.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₁BO₂
Molar mass: 186.02 g/mol
Exact mass: 186.0852 Da
logP: 0.83Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

103986-53-4

SMILES

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

InChIKey

JHVQEUGNYSVSDH-UHFFFAOYSA-N

InChI

InChI=1S/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3

Weigh it out

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

Names and synonyms

1 names

4-Methyl-1-naphthaleneboronic acid

Work with (4-Methyl-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

1,4-Dimethylnaphthalene571-58-458 % similar 2-Methylphenylboronic acid16419-60-657 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-655 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-455 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-855 % similar 4-Phenylnaphthalene-1-boronic Acid372521-91-053 % similar 1-Naphthylboronic acid13922-41-350 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-450 % similar

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

Elsewhere

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