2-Fluoro-5-acetylphenylboronic acid

C8H8BFO3CAS 870777-29-0181.96 g/mol

Open in Covalent MOL file
OFBHOOH
Aryl halideBoronic acidKetone

Properties

Molecular formula
C8H8BFO3
Molar mass
181.96 g/mol
Exact mass
182.0551 Da
logP
-0.29Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
870777-29-0
SMILES
CC(=O)c1ccc(F)c(B(O)O)c1
InChIKey
FQVNUEBNRAIKBR-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(5-acetyl-2-fluorophenyl)-
  • Boronic acid, (5-acetyl-2-fluorophenyl)-
  • B-(5-Acetyl-2-fluorophenyl)boronic acid
  • (5-Acetyl-2-fluorophenyl)boronic acid
  • 5-Acetyl-2-fluorobenzeneboronic acid

Work with 2-Fluoro-5-acetylphenylboronic 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-Borono-4-fluorobenzoic acid874219-59-765 % similar 2-Fluoro-5-(methoxycarbonyl)phenylboronic acid850568-04-663 % similar 1-(3,4-Difluorophenyl)ethanone369-33-562 % similar 4-Fluoro-3-methylacetophenone369-32-457 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-455 % similar 4-Fluoro-3-amino-acetophenone2002-82-655 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-255 % similar 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one403-14-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook