chempirical

3-Fluoro-4-nitrobenzenamine

C6H5FN2O2CAS 2369-13-3156.12 g/mol

Open in Covalent MOL file
H2NN+OO−F
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5FN2O2
Molar mass
156.12 g/mol
Exact mass
156.0335 Da
Melting point
252–253 °C
logP
1.32Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2369-13-3
SMILES
Nc1ccc([N+](=O)[O-])c(F)c1
InChIKey
KKQPNAPYVIIXFB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 3-fluoro-4-nitro-
  • Aniline, 3-fluoro-4-nitro-
  • 3-Fluoro-4-nitroaniline
  • NSC 402983
  • 4-Nitro-3-fluoroaniline

Work with 3-Fluoro-4-nitrobenzenamine

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 2,4-Difluoronitrobenzene446-35-564 % similar 4-Nitro-M-phenylenediamine5131-58-864 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 3-Fluoro-4-nitrophenol394-41-260 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % similar 3-Methyl-4-nitroaniline611-05-260 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-860 % 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 4-Fluoro-3-nitroaniline364-76-1 4-Fluoro-2-nitroaniline364-78-3 2-Fluoro-4-nitrobenzenamine369-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook