(3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid

C₁₈H₁₃BO₃CAS 1271726-52-3288.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₃BO₃
Molar mass: 288.11 g/mol
Exact mass: 288.0958 Da
logP: 2.93Crippen estimate
Polar surface area: 53.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1271726-52-3

SMILES

B(C1=CC(=CC=C1)C2=CC=CC3=C2OC4=CC=CC=C34)(O)O

InChIKey

NFFQEUGCDMASSS-UHFFFAOYSA-N

InChI

InChI=1S/C18H13BO3/c20-19(21)13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)22-18(14)16/h1-11,20-21H

Weigh it out

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

Work with (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic 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

Dibenzofuran-4-boronic acid100124-06-955 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-152 % similar Benzo[b]naphtho[2,3-d]furan-2-boronic acid1627917-17-242 % similar B-1-Dibenzofuranylboronic acid162607-19-441 % similar 4-Dibenzofuranamine50548-43-140 % similar (3,5-Diphenylphenyl)boronic acid128388-54-540 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-337 % similar 3-Fluorophenylboronic acid768-35-437 % similar

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

Same formula

B-(6-Phenyl-4-dibenzofuranyl)boronic acid1010068-85-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook