chempirical

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

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

2,5-Difluoronitrobenzene364-74-960 % similar 1-Fluoro-2,4-dinitrobenzene70-34-858 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-655 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-055 % similar 4-Fluoro-3-nitroaniline364-76-155 % similar (3,4-Difluorophenyl)boronic acid168267-41-253 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar 1,1′-Sulfonylbis[4-fluoro-3-nitrobenzene]312-30-153 % similar

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

Elsewhere

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