2-Ethoxy-5-methylphenylboronic acid

C₉H₁₃BO₃CAS 123291-97-4180.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₃
Molar mass: 180.01 g/mol
Exact mass: 180.0958 Da
logP: 0.07Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

123291-97-4

SMILES

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

InChIKey

KBGGTPGSWHNQEX-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO3/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

2-Ethoxy-5-methylphenylboronic Acid (contains varying amounts of Anhydride)

Work with 2-Ethoxy-5-methylphenylboronic 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

5-Chloro-2-ethoxyphenylboronic acid352534-86-265 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-363 % similar (2-Ethoxyphenyl)boronic acid213211-69-960 % similar 2-Ethoxy-4-methylphenol2563-07-754 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-554 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-453 % similar 2-Ethoxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)480438-58-253 % similar (2,5-Dimethylphenyl)boronic acid85199-06-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Isopropoxyphenylboronic acid138008-97-6 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 4-Ethoxy-2-methylphenylboronic acid313545-31-2 (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-9

Elsewhere

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