6-Methoxy-2-naphthaleneboronic acid

C₁₁H₁₁BO₃CAS 156641-98-4202.02 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₁H₁₁BO₃
Molar mass: 202.02 g/mol
Exact mass: 202.0801 Da
logP: 0.53Crippen estimate
Polar surface area: 49.7 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 irritation97.9% of notifiers

Aggregated from 47 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

156641-98-4

SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)OC)(O)O

InChIKey

GZFAVYWCPSMLCM-UHFFFAOYSA-N

InChI

InChI=1S/C11H11BO3/c1-15-11-5-3-8-6-10(12(13)14)4-2-9(8)7-11/h2-7,13-14H,1H3

Weigh it out

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

Work with 6-Methoxy-2-naphthaleneboronic 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-Methoxyphenyl)boronic acid5720-07-068 % similar 2,6-Dimethoxynaphthalene5486-55-565 % similar (3-Methoxyphenyl)boronic acid10365-98-765 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-562 % similar 2,7-Dimethoxynaphthalene3469-26-957 % similar 3,5-Dimethoxyphenylboronic acid192182-54-057 % similar β-Naphthol methyl ether93-04-957 % similar 3,4-Dimethoxyphenylboronic acid122775-35-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methoxynaphthalene-2-boronic acid104115-76-6 (2-Methoxy-1-naphthyl)boronic acid104116-17-8

Elsewhere

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