chempirical

3-Fluoro-5-nitrobenzenamine

C6H5FN2O2CAS 2369-12-2156.12 g/mol

Open in Covalent MOL file
NH2FN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5FN2O2
Molar mass
156.12 g/mol
Exact mass
156.0335 Da
Melting point
115–116 °C
logP
1.32Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2369-12-2
SMILES
Nc1cc(F)cc([N+](=O)[O-])c1
InChIKey
OPMFAZASMJCCOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2

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Names and synonyms

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

Work with 3-Fluoro-5-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

1,3-Difluoro-5-nitrobenzene2265-94-371 % similar 3,5-Dinitroaniline618-87-171 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-261 % similar 3-Nitro-5-(trifluoromethyl)benzenamine401-94-558 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar 3-Methoxy-5-nitrobenzenamine586-10-754 % similar 3-Nitroaniline99-09-253 % similar 4-Nitroaniline100-01-650 % 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-4-nitrobenzenamine2369-13-3 4-Fluoro-3-nitroaniline364-76-1 4-Fluoro-2-nitroaniline364-78-3 2-Fluoro-4-nitrobenzenamine369-35-7

Elsewhere

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