Fluoranthene-3-boronic acid

C16H11BO2CAS 359012-63-8246.07 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C16H11BO2
Molar mass
246.07 g/mol
Exact mass
246.0852 Da
logP
2.17Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
359012-63-8
SMILES
B(C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43)(O)O
InChIKey
LDPCTBXVSGTSNJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H11BO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9,18-19H

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Names and synonyms

1 names
  • Fluoranthen-3-ylboronic acid

Work with Fluoranthene-3-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

4-Phenylnaphthalene-1-boronic Acid372521-91-056 % similar 1-Naphthylboronic acid13922-41-353 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-453 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-448 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-648 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-848 % similar 3-Bromofluoranthene13438-50-147 % similar 3-Aminofluoranthene2693-46-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Pyrenylboronic acid164461-18-1

Elsewhere

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