chempirical

4-Fluoro-1,2-dinitrobenzene

C6H3FN2O4CAS 364-53-4186.10 g/mol

Open in Covalent MOL file
ON+O−FN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3FN2O4
Molar mass
186.10 g/mol
Exact mass
186.0077 Da
Melting point
25.8 °C
logP
1.64Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
364-53-4
SMILES
O=[N+]([O-])c1ccc(F)cc1[N+](=O)[O-]
InChIKey
IRIUWJQQUVBRLV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H

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Names and synonyms

5 names
  • Benzene, 4-fluoro-1,2-dinitro-
  • 1,2-Dinitro-4-fluorobenzene
  • 3,4-Dinitrofluorobenzene
  • 1-Fluoro-3,4-dinitrobenzene
  • NSC 170938

Work with 4-Fluoro-1,2-dinitrobenzene

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

2,4-Difluoronitrobenzene446-35-575 % similar 2,5-Difluoronitrobenzene364-74-971 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-570 % similar 5-Fluoro-2-nitrobenzenamine2369-11-170 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-370 % similar 5-Fluoro-2-nitrophenol446-36-670 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-770 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-567 % similar

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

Same formula

1-Fluoro-2,4-dinitrobenzene70-34-8

Elsewhere

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