chempirical

B-(4-Fluoro-1-naphthalenyl)boronic acid

C10H8BFO2CAS 182344-25-8189.98 g/mol

Open in Covalent MOL file
HOBHOF
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

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

4 names
  • 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 B-(4-Fluoro-1-naphthalenyl)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-Methyl-1-naphthalene)boronic acid103986-53-455 % similar 1-Naphthylboronic acid13922-41-350 % similar (2,3-Difluorophenyl)boronic acid121219-16-747 % similar 2,4-Difluorophenylboronic acid144025-03-647 % similar (2-Chloro-3-fluorophenyl)boronic acid871329-52-145 % similar 1-Bromo-4-fluoronaphthalene341-41-345 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-644 % similar B-(2-Fluoro-4-iodophenyl)boronic acid374790-98-444 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook