B-1-Dibenzofuranylboronic acid

C₁₂H₉BO₃CAS 162607-19-4212.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉BO₃
Molar mass: 212.01 g/mol
Exact mass: 212.0645 Da
logP: 1.27Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

162607-19-4

SMILES

OB(O)c1cccc2oc3ccccc3c12

InChIKey

JOFBTOVNZIUWPX-UHFFFAOYSA-N

InChI

InChI=1S/C12H9BO3/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,14-15H

Weigh it out

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

Names and synonyms

5 names

Boronic acid, B-1-dibenzofuranyl-
Boronic acid, 1-dibenzofuranyl-
1-Dibenzofuranylboronic acid
1-Dibenzofuranboronic acid
Dibenzo[b,d]furan-1-ylboronic acid

Work with B-1-Dibenzofuranylboronic 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

1-Dibenzofuranol33483-06-655 % similar 1-Dibenzofuranamine50548-40-855 % similar 1-Bromodibenzofuran50548-45-352 % similar 1-Chlorodibenzofuran84761-86-452 % similar 1-Naphthylboronic acid13922-41-350 % similar 1-Fluorodibenzo[B,D]furan182349-08-250 % similar Benzofuran-3-boronic acid317830-83-450 % similar Benzo(b)naphtho(1,2-d)furan205-39-047 % similar

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

Same formula

Dibenzofuran-4-boronic acid100124-06-9 Dibenzo[B,D]furan-3-ylboronic acid395087-89-5 Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook