Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)

C12H9BO3CAS 402936-15-6212.01 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acid

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
402936-15-6
SMILES
B(C1=CC2=C(C=C1)OC3=CC=CC=C32)(O)O
InChIKey
DSSBJZCMMKRJTF-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,14-15H

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Names and synonyms

1 names
  • Dibenzo[B,D]furan-2-ylboronic acid

Work with Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)

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

Benzo[b]naphtho[2,3-d]furan-2-boronic acid1627917-17-275 % similar (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid1271726-52-355 % similar 2-Dibenzofuranol86-77-155 % similar Dibenzofuran132-64-952 % similar 2-Iododibenzofuran5408-56-050 % similar 9,10-Diphenylanthracene-2-boronic Acid597553-98-550 % similar Dibenzothiophene-2-boronic acid668983-97-950 % similar 2-Bromodibenzofuran86-76-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzofuran-4-boronic acid100124-06-9 B-1-Dibenzofuranylboronic acid162607-19-4 Dibenzo[B,D]furan-3-ylboronic acid395087-89-5

Elsewhere

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