(2,3-Difluorophenyl)boronic acid

C₆H₅BF₂O₂CAS 121219-16-7157.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BF₂O₂
Molar mass: 157.91 g/mol
Exact mass: 158.0351 Da
logP: -0.36Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

121219-16-7

SMILES

OB(O)c1cccc(F)c1F

InChIKey

SZYXKFKWFYUOGZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(2,3-difluorophenyl)-
Boronic acid, (2,3-difluorophenyl)-
B-(2,3-Difluorophenyl)boronic acid
2,3-Difluorobenzeneboronic acid

Work with (2,3-Difluorophenyl)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

(2-Chloro-3-fluorophenyl)boronic acid871329-52-168 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-455 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-955 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-755 % similar 2,3,5-Trifluorophenylboronic acid247564-73-452 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-352 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-450 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-249 % similar

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

Same formula

2,4-Difluorophenylboronic acid144025-03-6 (3,5-Difluorophenyl)boronic acid156545-07-2 2,6-Difluorophenylboronic acid162101-25-9 (3,4-Difluorophenyl)boronic acid168267-41-2

Elsewhere

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