B-(4-Fluoro-3-nitrophenyl)boronic acid

C6H5BFNO4CAS 352530-22-4184.92 g/mol

Open in Covalent MOL file
ON+O−BOHHOF
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.

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Identifiers

CAS number
352530-22-4
SMILES
O=[N+]([O-])c1cc(B(O)O)ccc1F
InChIKey
JDPKQZFQCPEJNH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BFNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H

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Names and synonyms

3 names
  • Boronic acid, B-(4-fluoro-3-nitrophenyl)-
  • Boronic acid, (4-fluoro-3-nitrophenyl)-
  • 4-Fluoro-3-nitrophenylboronic acid

Work with B-(4-Fluoro-3-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

(4-Chloro-3-nitrophenyl)boronic acid151169-67-463 % similar 4-Bromo-3-nitrophenylboronic acid74386-13-363 % similar 4-Methyl-3-nitrobenzeneboronic acid80500-27-263 % similar 4-Amino-3-nitrophenylboronic acid89466-07-963 % similar 2,4-Difluoro-5-nitrophenylboronic acid325786-11-661 % similar 2,5-Difluoronitrobenzene364-74-960 % similar 4-Fluoro-3-nitrophenol2105-96-659 % similar 4-Methoxy-3-nitrophenylboronic acid827614-67-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Fluoro-5-nitrophenyl)boronic acid819849-20-2

Elsewhere

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