4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)

C₁₀H₈BFO₂CAS 182344-25-8189.98 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₀H₈BFO₂
Molar mass: 189.98 g/mol
Exact mass: 190.0601 Da
logP: 0.66Crippen 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

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

182344-25-8

SMILES

OB(O)c1ccc(F)c2ccccc12

InChIKey

IDCGAEJGZLYEAZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BFO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

B-(4-Fluoro-1-naphthalenyl)boronic acid
Boronic acid, B-(4-fluoro-1-naphthalenyl)-
Boronic acid, (4-fluoro-1-naphthalenyl)-
(4-Fluoronaphthalen-1-yl)boronic acid
(4-Fluoro-1-naphthyl)boronic acid

Work with 4-Fluoro-1-naphthaleneboronic 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

2-Fluorophenylboronic acid1993-03-957 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-455 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-655 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-455 % similar 2,3,4-Trifluorobenzeneboronic acid226396-32-353 % similar 4-Phenylnaphthalene-1-boronic Acid372521-91-053 % similar 1-Naphthylboronic acid13922-41-350 % similar (4-Formyl-1-naphthalene)boronic acid332398-52-450 % similar

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

Elsewhere

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