chempirical

(4-Fluorophenyl)boronic acid

C6H6BFO2CAS 1765-93-1139.92 g/mol

Open in Covalent MOL file
HOBHOF
Aryl halideBoronic acid

Properties

Molecular formula
C6H6BFO2
Molar mass
139.92 g/mol
Exact mass
140.0445 Da
Melting point
289–290 °C
logP
-0.49Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1765-93-1
SMILES
OB(O)c1ccc(F)cc1
InChIKey
LBUNNMJLXWQQBY-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H

Weigh it out

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

Names and synonyms

11 names
  • Boronic acid, B-(4-fluorophenyl)-
  • Benzeneboronic acid, p-fluoro-
  • Boronic acid, (4-fluorophenyl)-
  • B-(4-Fluorophenyl)boronic acid
  • 4-Fluorobenzeneboronic acid
  • p-Fluorophenylboronic acid
  • (p-Fluorophenyl)boric acid
  • (4-Fluorophenyl)dihydroxyboron
  • NSC 142683
  • p-Fluorobenzylboronic acid
  • (4-Fluorophenyl)dihydroxyborane

Work with (4-Fluorophenyl)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

(3,5-Difluorophenyl)boronic acid156545-07-257 % similar (4-Hydroxyphenyl)boronic acid71597-85-852 % similar 4-(Trifluoromethyl)phenylboronic acid128796-39-450 % similar (4-Chlorophenyl)boronic acid1679-18-150 % similar (3,4-Difluorophenyl)boronic acid168267-41-250 % similar 1,4-Difluorobenzene540-36-350 % similar (4-Bromophenyl)boronic acid5467-74-350 % similar P-Tolylboronic acid5720-05-850 % similar

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

Same formula

3-Fluorophenylboronic acid768-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook