chempirical

2,4-Difluoronitrobenzene

C6H3F2NO2CAS 446-35-5159.09 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
Melting point
9.8 °C
Boiling point
207 °C
logP
1.87Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
446-35-5
SMILES
O=[N+]([O-])c1ccc(F)cc1F
InChIKey
RJXOVESYJFXCGI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 2,4-difluoro-1-nitro-
  • 2,4-Difluoro-1-nitrobenzene
  • 1,3-Difluoro-4-nitrobenzene
  • 1-Nitro-2,4-difluorobenzene
  • NSC 10259
  • 1,5-Difluoro-2-nitrobenzene

Work with 2,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluoro-1,2-dinitrobenzene364-53-475 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-564 % similar 5-Fluoro-2-nitrobenzenamine2369-11-164 % similar 3-Fluoro-4-nitrobenzenamine2369-13-364 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-364 % similar 3-Fluoro-4-nitrophenol394-41-264 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-364 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-464 % 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 3,4-Difluoronitrobenzene369-34-6 1,2-Difluoro-3-nitrobenzene6921-22-8 3,5-Difluoropyridine-2-carboxylic acid745784-04-7

Elsewhere

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