1-Methyl 2-boronobenzoate

C₈H₉BO₄CAS 374538-03-1179.97 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₈H₉BO₄
Molar mass: 179.97 g/mol
Exact mass: 180.0594 Da
Melting point: 102–104 °C
logP: -0.85Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

374538-03-1

SMILES

COC(=O)c1ccccc1B(O)O

InChIKey

ODAXNYMENLFYMY-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5,11-12H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-borono-, 1-methyl ester
2-Methoxycarbonylphenylboronic acid

Work with 1-Methyl 2-boronobenzoate

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

1-Ethyl 2-boronobenzoate380430-53-565 % similar Dimethyl phthalate131-11-363 % similar 1-Methyl 2-borono-4-fluorobenzoate850568-05-762 % similar Methyl salicylate119-36-857 % similar 2-Acetylphenylboronic acid308103-40-457 % similar Monomethyl phthalate4376-18-556 % similar Methyl 2-bromobenzoate610-94-654 % similar Methyl 2-methylbenzoate89-71-454 % similar

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

Same formula

(3-Formyl-4-methoxyphenyl)boronic acid121124-97-8 2-Methoxy-5-formylphenylboronic acid127972-02-5 4-Methoxy-2-formylphenylboronic acid139962-95-1 4-(Methoxycarbonyl)phenylboronic acid99768-12-4

Elsewhere

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