(3-(Dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid

C18H13BO2SCAS 1307859-67-1304.17 g/mol

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BSHOOH
Boronic acid

Properties

Molecular formula
C18H13BO2S
Molar mass
304.17 g/mol
Exact mass
304.0729 Da
logP
3.40Crippen estimate
Polar surface area
40.5 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
1307859-67-1
SMILES
B(C1=CC(=CC=C1)C2=CC=CC3=C2SC4=CC=CC=C34)(O)O
InChIKey
NLOHUARANQHPPJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H13BO2S/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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Names and synonyms

1 names
  • B-[3-(4-Dibenzothienyl)phenyl]boronic acid

Work with (3-(Dibenzo[b,d]thiophen-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-Bromophenyl)dibenzo[b,d]thiophene1084334-28-060 % similar 4-Dibenzothiopheneboronic acid108847-20-755 % similar Dibenzothiophene-2-boronic acid668983-97-955 % similar (3-(Dibenzo[B,D]furan-4-yl)phenyl)boronic acid1271726-52-352 % similar (3-(10-Phenylanthracen-9-yl)phenyl)boronic acid905947-49-151 % similar 4-(4-Bromophenyl)dibenzothiophene530402-77-851 % similar Biphenyl-3-boronic acid5122-95-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(6-Phenyldibenzo[B,D]thiophen-4-yl)boronic acid1115640-18-0

Elsewhere

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