chempirical

(2-Fluoro-5-nitrophenyl)boronic acid

C6H5BFNO4CAS 819849-20-2184.92 g/mol

Open in Covalent MOL file
BN+OO−FHOHO
Aryl halideBoronic acidNitro

Properties

Molecular formula
C6H5BFNO4
Molar mass
184.92 g/mol
Exact mass
185.0296 Da
logP
-0.59Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 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
819849-20-2
SMILES
B(C1=C(C=CC(=C1)[N+](=O)[O-])F)(O)O
InChIKey
SYAFEPQKPQIRAL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H

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Names and synonyms

1 names
  • 2-Fluoro-5-nitrophenylboronic acid

Work with (2-Fluoro-5-nitrophenyl)boronic 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

(2-Methyl-5-nitrophenyl)boronic acid100960-11-063 % similar 2-Chloro-5-nitrophenylboronic acid867333-29-763 % similar 3,4-Difluoronitrobenzene369-34-662 % similar 2,4-Difluoro-5-nitrophenylboronic acid325786-11-661 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar 2-Fluoro-5-nitrophenylboronic acid pinacol ester425378-68-358 % similar 3-Chloro-4-fluoronitrobenzene350-30-155 % similar 2-Fluoro-5-nitrobenzenamine369-36-855 % similar

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

Same formula

B-(4-Fluoro-3-nitrophenyl)boronic acid352530-22-4

Elsewhere

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