chempirical

4-Fluoro-2-nitroaniline

C6H5FN2O2CAS 364-78-3156.12 g/mol

Open in Covalent MOL file
H2NFN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5FN2O2
Molar mass
156.12 g/mol
Exact mass
156.0335 Da
Melting point
93.5–94 °C
logP
1.32Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
364-78-3
SMILES
Nc1ccc(F)cc1[N+](=O)[O-]
InChIKey
PUGDHSSOXPHLPT-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

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Names and synonyms

6 names
  • Benzenamine, 4-fluoro-2-nitro-
  • Aniline, 4-fluoro-2-nitro-
  • 4-Fluoro-2-nitrobenzenamine
  • 2-Nitro-4-fluoroaniline
  • NSC 402980
  • 4-Fluoro-2-nitrophenylamine

Work with 4-Fluoro-2-nitroaniline

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

4-Fluoro-1,2-dinitrobenzene364-53-467 % similar Nitro-P-phenylenediamine5307-14-266 % similar 2,4-Dinitroaniline97-02-966 % similar 2,5-Difluoronitrobenzene364-74-963 % similar 4-Iodo-2-nitrobenzenamine20691-72-962 % similar 4-Amino-3-nitrophenol610-81-162 % similar 4-Bromo-2-nitroaniline875-51-462 % similar 4-Methyl-2-nitroaniline89-62-362 % similar

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

Same formula

2-Fluoro-6-nitrobenzenamine17809-36-8 2-Fluoro-6-methyl-3-nitropyridine19346-45-3 2-Fluoro-3-methyl-5-nitropyridine19346-46-4 5-Fluoro-2-nitrobenzenamine2369-11-1 3-Fluoro-5-nitrobenzenamine2369-12-2 3-Fluoro-4-nitrobenzenamine2369-13-3 4-Fluoro-3-nitroaniline364-76-1 2-Fluoro-4-nitrobenzenamine369-35-7

Elsewhere

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