chempirical

3,4-Difluoronitrobenzene

C6H3F2NO2CAS 369-34-6159.09 g/mol

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

Properties

Molecular formula
C6H3F2NO2
Molar mass
159.09 g/mol
Exact mass
159.0132 Da
Boiling point
80–81 °C (at 14 Torr)
logP
1.87Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
369-34-6
SMILES
O=[N+]([O-])c1ccc(F)c(F)c1
InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2-difluoro-4-nitro-
  • 1,2-Difluoro-4-nitrobenzene
  • 4-Nitro-1,2-difluorobenzene
  • 3,4-Difluoro-1-nitrobenzene

Work with 3,4-Difluoronitrobenzene

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

1-Fluoro-2,4-dinitrobenzene70-34-872 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-869 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-268 % similar 3-Chloro-4-fluoronitrobenzene350-30-168 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-268 % similar 2-Fluoro-4-nitrobenzenamine369-35-768 % similar 2-Fluoro-5-nitrobenzenamine369-36-868 % similar 2-Fluoro-5-nitrotoluene455-88-968 % similar

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

Same formula

1,3-Difluoro-2-nitrobenzene19064-24-5 1,3-Difluoro-5-nitrobenzene2265-94-3 2,5-Difluoronitrobenzene364-74-9 2,4-Difluoronitrobenzene446-35-5 1,2-Difluoro-3-nitrobenzene6921-22-8 3,5-Difluoropyridine-2-carboxylic acid745784-04-7

Elsewhere

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