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

C6H2BF5O2CAS 1582-24-7211.88 g/mol

Open in Covalent MOL file
BFFFFFHOHO
Aryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
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 2,3,6-Trifluorophenylboronic acid247564-71-250 % similar 2,6-Difluorophenylboronic acid162101-25-942 % similar (3,4,5-Trifluorophenyl)boronic acid143418-49-940 % similar 2,4,6-Trifluorophenylboronic acid182482-25-340 % similar Hexafluorobenzene392-56-340 % similar 2-Chloro-6-fluoro-5-methylphenylboronic acid352535-86-539 % similar 2,6-Difluoro-3-methoxybenzeneboronic acid870779-02-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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