2-Fluoro-5-nitrophenylboronic acid pinacol ester

C12H15BFNO4CAS 425378-68-3267.06 g/mol

Open in Covalent MOL file
BOON+OO−F
Aryl halideBoronic esterNitro

Properties

Molecular formula
C12H15BFNO4
Molar mass
267.06 g/mol
Exact mass
267.1078 Da
logP
2.03Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
425378-68-3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])F
InChIKey
FXEVKZIXXGDLFW-UHFFFAOYSA-N
InChI
InChI=1S/C12H15BFNO4/c1-11(2)12(3,4)19-13(18-11)9-7-8(15(16)17)5-6-10(9)14/h5-7H,1-4H3

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Names and synonyms

1 names
  • 2-Fluoro-5-nitrophenylboronic acid, pinacol ester

Work with 2-Fluoro-5-nitrophenylboronic acid pinacol ester

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-Nitrophenylboronic acid pinacol ester171364-83-360 % similar (2-Fluoro-5-nitrophenyl)boronic acid819849-20-258 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene68716-48-358 % similar 2-Nitrobenzeneboronic acid pinacol ester190788-59-153 % similar 3,4-Difluoronitrobenzene369-34-653 % similar 2-Fluoro-5-nitrotoluene455-88-951 % similar 1-Fluoro-2,4-dinitrobenzene70-34-850 % similar 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane876062-39-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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