2-Methoxymethylphenylboronic acid

C₈H₁₁BO₃CAS 126617-98-9165.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₃
Molar mass: 165.98 g/mol
Exact mass: 166.0801 Da
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

126617-98-9

SMILES

B(C1=CC=CC=C1COC)(O)O

InChIKey

JHPPAFXQJZJGEP-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5,10-11H,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-(Methoxymethyl)benzeneboronic acid

Work with 2-Methoxymethylphenylboronic 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-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-158 % similar 2-Hydroxymethylphenylboronic acid87199-14-255 % similar [2-(Bromomethyl)phenyl]boronic acid91983-14-153 % similar 2-(N,N-Dimethylaminomethyl)phenylboronic acid85107-53-553 % similar 2-Methoxyphenylboronic acid5720-06-948 % similar 1-Hydroxy-2,1-benzoxaborolane5735-41-148 % similar 2-Methylphenylboronic acid16419-60-644 % similar 2-Benzyloxyphenylboronic acid190661-29-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2 (4-Methoxy-2-methylphenyl)boronic acid208399-66-0 (2-Ethoxyphenyl)boronic acid213211-69-9 4-Ethoxyphenylboronic acid22237-13-4 3-Ethoxybenzeneboronic acid90555-66-1

Elsewhere

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