(2,4-Difluoro-3-formylphenyl)boronic acid

C7H5BF2O3CAS 870718-06-2185.92 g/mol

Open in Covalent MOL file
OFBHOOHF
AldehydeAryl halideBoronic acid

Properties

Molecular formula
C7H5BF2O3
Molar mass
185.92 g/mol
Exact mass
186.0300 Da
Melting point
225–230 °C
logP
-0.54Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
870718-06-2
SMILES
O=Cc1c(F)ccc(B(O)O)c1F
InChIKey
PVAWONNALJEQJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H

Weigh it out

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

Names and synonyms

5 names
  • Boronic acid, B-(2,4-difluoro-3-formylphenyl)-
  • Boronic acid, (2,4-difluoro-3-formylphenyl)-
  • B-(2,4-Difluoro-3-formylphenyl)boronic acid
  • 2,4-Difluoro-3-formylbenzeneboronic acid
  • 2,4-Difluoro-3-formylphenylboronic acid

Work with (2,4-Difluoro-3-formylphenyl)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

B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-763 % similar 2,3,6-Trifluorobenzaldehyde104451-70-961 % similar 2,3,4-Trifluorobenzeneboronic acid226396-32-359 % similar (2-Fluoro-5-formylphenyl)boronic acid352534-79-354 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-954 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-654 % similar 3-Chloro-2,6-difluorobenzaldehyde190011-87-153 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook