chempirical

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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-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-Fluoro-5-nitrobenzotrifluoride400-74-849 % similar 3,3-Dimethyl-6-nitrobenzo[C][1,2]oxaborol-1(3H)-ol1266084-47-248 % similar 2-Fluoro-N-methyl-5-nitroaniline110729-51-648 % similar

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

Elsewhere

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