3-Ethoxybenzeneboronic acid

C₈H₁₁BO₃CAS 90555-66-1165.98 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: -0.23Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

90555-66-1

SMILES

B(C1=CC(=CC=C1)OCC)(O)O

InChIKey

CHCWUTJYLUBETR-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Ethoxyphenylboronic acid

Work with 3-Ethoxybenzeneboronic 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

3-Propoxyphenylboronic acid149557-18-676 % similar 3-Butoxyphenylboronic acid352534-81-771 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-568 % similar 1,3-Diethoxybenzene2049-73-262 % similar 3-Benzyloxy-phenylboronic acid156682-54-161 % similar (3-Methoxyphenyl)boronic acid10365-98-761 % similar 3-Ethoxyphenol621-34-156 % similar 3-Isopropoxybenzeneboronic acid216485-86-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxymethylphenylboronic acid126617-98-9 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

Elsewhere

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