chempirical

4-Fluoronitrobenzene

C6H4FNO2CAS 350-46-9141.10 g/mol

Open in Covalent MOL file
ON+O−F
Aryl halideNitro

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
Density
1.33 g/mL (at 20 °C)
Melting point
27 °C
Boiling point
206–207 °C
logP
1.73Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
350-46-9
SMILES
O=[N+]([O-])c1ccc(F)cc1
InChIKey
WFQDTOYDVUWQMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Benzene, 1-fluoro-4-nitro-
  • 1-Fluoro-4-nitrobenzene
  • p-Nitrofluorobenzene
  • p-Fluoronitrobenzene
  • 1-Nitro-4-fluorobenzene
  • 4-Nitrofluorobenzene
  • 4-Fluoro-1-nitrobenzene
  • 4-Nitro-1-fluorobenzene
  • 4-Nitrophenyl fluoride
  • NSC 10281
  • Para-fluoronitrobenzene

Work with 4-Fluoronitrobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dinitrobenzene100-25-471 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-163 % similar 1,3-Difluoro-5-nitrobenzene2265-94-362 % similar 4-Nitropyridine1122-61-858 % similar 4-Fluoro-1,2-dinitrobenzene364-53-457 % similar Nitrobenzene98-95-356 % similar 4-Nitrochlorobenzene100-00-556 % similar 4-Nitroaniline100-01-656 % similar

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

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde1227515-00-5 1-Fluoro-2-nitrobenzene1493-27-2 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4 1-Fluoro-3-nitrobenzene402-67-5 4-Fluoro-2-pyridinecarboxylic acid886371-78-4

Elsewhere

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