chempirical

1,2,3,4-Tetrafluoro-5-nitrobenzene

C6HF4NO2CAS 5580-79-0195.07 g/mol

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

Properties

Molecular formula
C6HF4NO2
Molar mass
195.07 g/mol
Exact mass
194.9943 Da
Boiling point
74 °C (at 19 Torr)
logP
2.15Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5580-79-0
SMILES
O=[N+]([O-])c1cc(F)c(F)c(F)c1F
InChIKey
MKMDVNZEIQDZEP-UHFFFAOYSA-N
InChI
InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1,2,3,4-tetrafluoro-5-nitro-
  • 2,3,4,5-Tetrafluoronitrobenzene
  • 2,3,4,5-Tetrafluoro-1-nitrobenzene
  • 5-Nitro-1,2,3,4-tetrafluorobenzene
  • NSC 96618

Work with 1,2,3,4-Tetrafluoro-5-nitrobenzene

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

1,2,3-Trifluoro-4-nitrobenzene771-69-767 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-562 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-960 % similar 3,4,5-Trifluoronitrobenzene66684-58-060 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-059 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-459 % similar 1,2-Difluoro-3-nitrobenzene6921-22-856 % similar 4,5-Difluoro-2-nitroaniline78056-39-055 % similar

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

Same formula

1,2,3,5-Tetrafluoro-4-nitrobenzene314-41-0

Elsewhere

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