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

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

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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-Ethoxy-4-methylphenol2563-07-754 % similar B-(4-Ethoxy-2,3-difluorophenyl)boronic acid212386-71-554 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-349 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-449 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-047 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-645 % similar

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

Same formula

2-Isopropoxyphenylboronic acid138008-97-6

Elsewhere

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