2,4-Difluoro-5-nitrophenylboronic acid

C₆H₄BF₂NO₄CAS 325786-11-6202.91 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Nitro

Properties

Molecular formula: C₆H₄BF₂NO₄
Molar mass: 202.91 g/mol
Exact mass: 203.0201 Da
logP: -0.45Crippen estimate
Polar surface area: 83.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

325786-11-6

SMILES

B(C1=CC(=C(C=C1F)F)[N+](=O)[O-])(O)O

InChIKey

PSPLUVTUISDWMW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BF2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2,11-12H

Weigh it out

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

Names and synonyms

1 names

2,4-Difluoro-5-nitrobenzeneboronic acid

Work with 2,4-Difluoro-5-nitrophenylboronic 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

1,5-Difluoro-2,4-dinitrobenzene327-92-465 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-563 % similar B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-461 % similar (2-Fluoro-5-nitrophenyl)boronic acid819849-20-261 % similar 2,4-Difluoro-5-nitrophenol113512-57-558 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-154 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-454 % similar 2,4,5-Trifluorophenylboronic acid247564-72-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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