3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid

C₉H₁₁BO₄CAS 279261-89-1193.99 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₁BO₄
Molar mass: 193.99 g/mol
Exact mass: 194.0750 Da
logP: -0.47Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

279261-89-1

SMILES

B(C1=CC2=C(C=C1)OCCCO2)(O)O

InChIKey

CSNCBPVLUIFJOS-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BO4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6,11-12H,1,4-5H2

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Work with 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic 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

(2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-385 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-361 % similar 3-Fluoro-4-propoxyphenylboronic acid192376-68-455 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-454 % similar 3,4-Dimethoxyphenylboronic acid122775-35-352 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-350 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-450 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-746 % similar

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

Same formula

4-(2-Carboxyethyl)benzeneboronic acid166316-48-9 1-Ethyl 2-boronobenzoate380430-53-5 (3-Ethoxycarbonylphenyl)boronic acid4334-87-6 4-(Ethoxycarbonyl)phenylboronic acid4334-88-7

Elsewhere

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