chempirical

4-Formylphenylboronic acid

C7H7BO3CAS 87199-17-5149.94 g/mol

Open in Covalent MOL file
OBOHOH
AldehydeBoronic acid

Properties

Molecular formula
C7H7BO3
Molar mass
149.94 g/mol
Exact mass
150.0488 Da
Melting point
128–130 °C
logP
-0.82Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
87199-17-5
SMILES
O=Cc1ccc(B(O)O)cc1
InChIKey
VXWBQOJISHAKKM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5,10-11H

Weigh it out

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

Names and synonyms

8 names
  • Boronic acid, B-(4-formylphenyl)-
  • Boronic acid, (4-formylphenyl)-
  • Benzeneboronic acid, p-formyl-
  • B-(4-Formylphenyl)boronic acid
  • p-Formylphenylboronic acid
  • p-Formylbenzeneboronic acid
  • 4-Formylbenzeneboronic acid
  • 4-Formylphenylborate

Work with 4-Formylphenylboronic 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-Hydroxybenzaldehyde123-08-050 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-648 % similar (4-Hydroxyphenyl)boronic acid71597-85-846 % similar 4-Formylphenylboronic acid pinacol ester128376-64-745 % similar 4-Methylbenzaldehyde104-87-044 % similar 4-Chlorobenzaldehyde104-88-144 % similar 4-Bromobenzaldehyde1122-91-444 % similar

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

Same formula

3-Formylphenylboronic acid87199-16-4

Elsewhere

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