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

C18H13BO3CAS 1271726-52-3288.11 g/mol

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BOHOOH
Boronic acid

Properties

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

Hazards

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

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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

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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

3-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)881913-20-862 % similar 4-(3-Bromo-phenyl)-dibenzofuran887944-90-360 % similar Dibenzofuran-4-boronic acid100124-06-955 % similar Dibenzo[B,D]furan-3-ylboronic acid395087-89-555 % similar Dibenzo(b,d)furan-2-ylboronic Acid (contains varying amounts of Anhydride)402936-15-655 % similar (3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid1307859-67-152 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-151 % similar 4-(4-Bromo-phenyl)-dibenzofuran955959-84-951 % 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

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