1-Pyrenylboronic acid

C₁₆H₁₁BO₂CAS 164461-18-1246.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₁BO₂
Molar mass: 246.07 g/mol
Exact mass: 246.0852 Da
logP: 2.26Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

164461-18-1

SMILES

B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O

InChIKey

MWEKPLLMFXIZOC-UHFFFAOYSA-N

InChI

InChI=1S/C16H11BO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,18-19H

Weigh it out

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Names and synonyms

1 names

Pyren-1-ylboronic acid

Work with 1-Pyrenylboronic 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-Naphthylboronic acid13922-41-357 % similar 1-Hydroxypyrene5315-79-752 % similar Pyrene129-00-048 % similar Isoquinoline-5-boronic acid371766-08-447 % similar Isoquinoline-8-boronic acid721401-43-047 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-447 % similar 1-Pyrenemethanol24463-15-847 % similar 1-Aminopyrene1606-67-347 % similar

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

Same formula

Fluoranthene-3-boronic acid359012-63-8

Elsewhere

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