1-Ethyl 2-boronobenzoate

C₉H₁₁BO₄CAS 380430-53-5193.99 g/mol

Open in Covalent MOL file

Boronic acid Ester

Properties

Molecular formula: C₉H₁₁BO₄
Molar mass: 193.99 g/mol
Exact mass: 194.0750 Da
logP: -0.46Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

380430-53-5

SMILES

CCOC(=O)c1ccccc1B(O)O

InChIKey

QZKVVOXAEBCLPZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6,12-13H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2-borono-, 1-ethyl ester
2-Ethoxycarbonylphenylboronic acid

Work with 1-Ethyl 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

Diethyl phthalate84-66-267 % similar 1-Methyl 2-boronobenzoate374538-03-165 % similar Ethyl salicylate118-61-661 % similar Ethyl 2-bromobenzoate6091-64-158 % similar Ethyl 2-methylbenzoate87-24-158 % similar Ethyl 2-iodobenzoate1829-28-356 % similar Ethyl 2-ethoxybenzoate6290-24-056 % similar Ethyl o-chlorobenzoate7335-25-356 % similar

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

Same formula

4-(Ethoxycarbonyl)phenylboronic acid4334-88-7

Elsewhere

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