2,3-Dihydrobenzofuran-5-ylboronic acid

C₈H₉BO₃CAS 227305-69-3163.97 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₉BO₃
Molar mass: 163.97 g/mol
Exact mass: 164.0645 Da
logP: -0.70Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

227305-69-3

SMILES

OB(O)c1ccc2c(c1)CCO2

InChIKey

ZIXLJHSFAMVHPC-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5,10-11H,3-4H2

Weigh it out

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

Names and synonyms

8 names

Boronic acid, B-(2,3-dihydro-5-benzofuranyl)-
Boronic acid, (2,3-dihydro-5-benzofuranyl)-
B-(2,3-Dihydro-5-benzofuranyl)boronic acid
2,3-Dihydrobenzo[b]furan-5-boronic acid
(2,3-Dihydrobenzo[b]furan-5-yl)boronic acid
2,3-Dihydro-1-benzofuran-5-ylboronic acid
2,3-Dihydrobenzofuran-5-boronic acid
(2,3-Dihydro-1-benzofuran-5-yl)boronic acid

Work with 2,3-Dihydrobenzofuran-5-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 acid164014-95-365 % similar 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid279261-89-161 % similar (2H-1,3-Benzodioxol-5-yl)boronic acid94839-07-355 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-652 % similar (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-751 % similar 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran127264-14-651 % similar 3-Fluoro-4-propoxyphenylboronic acid192376-68-450 % similar 5-Fluoro-2,3-dihydrobenzofuran245762-35-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Acetylphenylboronic acid149104-90-5 3-Acetylphenylboronic acid204841-19-0 2-Acetylphenylboronic acid308103-40-4

Elsewhere

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