chempirical

4-Fluoro-3-nitroaniline

C6H5FN2O2CAS 364-76-1156.12 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
96.5 °C
logP
1.32Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
364-76-1
SMILES
Nc1ccc(F)c([N+](=O)[O-])c1
InChIKey
LLIOADBCFIXIEU-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

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Names and synonyms

6 names
  • Benzenamine, 4-fluoro-3-nitro-
  • Aniline, 4-fluoro-3-nitro-
  • 4-Fluoro-3-nitrobenzenamine
  • 3-Nitro-4-fluoroaniline
  • 4-Fluoro-3-nitrophenylamine
  • NSC 10293

Work with 4-Fluoro-3-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

3,4-Dinitroaniline610-41-368 % similar 2,5-Difluoronitrobenzene364-74-966 % similar Nitro-P-phenylenediamine5307-14-264 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 4-Methyl-3-nitroaniline119-32-460 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-060 % 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-2-nitroaniline364-78-3 2-Fluoro-4-nitrobenzenamine369-35-7

Elsewhere

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