2,3,4,5,6-Pentafluorobenzeneboronic acid

C₆H₂BF₅O₂CAS 1582-24-7211.88 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₂BF₅O₂
Molar mass: 211.88 g/mol
Exact mass: 212.0068 Da
logP: 0.06Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

1582-24-7

SMILES

B(C1=C(C(=C(C(=C1F)F)F)F)F)(O)O

InChIKey

VASOMTXTRMYSKD-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H

Weigh it out

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

Work with 2,3,4,5,6-Pentafluorobenzeneboronic 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

Tris(pentafluorophenyl)borane1109-15-550 % similar 2,6-Difluorophenylboronic acid162101-25-942 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-940 % similar (2,4,6-Trifluorophenyl)boronic acid182482-25-340 % similar Hexafluorobenzene392-56-340 % similar (2,3-Difluorophenyl)boronic acid121219-16-736 % similar B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-635 % similar 2,3,5-Trifluorophenylboronic acid247564-73-434 % similar

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

Elsewhere

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