2,4,6-Trimethoxyphenylboronic acid

C₉H₁₃BO₅CAS 135159-25-0212.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₅
Molar mass: 212.01 g/mol
Exact mass: 212.0856 Da
logP: -0.61Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Identifiers

CAS number

135159-25-0

SMILES

B(C1=C(C=C(C=C1OC)OC)OC)(O)O

InChIKey

PKLRXZVPEQJTTJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3

Weigh it out

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

Names and synonyms

1 names

2,4,6-Trimethoxybenzeneboronic acid

Work with 2,4,6-Trimethoxyphenylboronic 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

2,4,6-Trimethoxyphenol20491-92-354 % similar 2,5-Dimethoxyphenylboronic acid107099-99-053 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-448 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-947 % similar 3,4-Dimethoxyphenylboronic acid122775-35-347 % similar (4-Methoxyphenyl)boronic acid5720-07-047 % similar 1,3,5-Trimethoxybenzene621-23-846 % similar (3-Methoxyphenyl)boronic acid10365-98-745 % similar

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

Same formula

2,3,4-Trimethoxybenzeneboronic acid118062-05-8

Elsewhere

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