chempirical

3-Fluoro-2-nitrobenzenamine

C6H5FN2O2CAS 567-63-5156.12 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
logP
1.32Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
567-63-5
SMILES
Nc1cccc(F)c1[N+](=O)[O-]
InChIKey
NSFGNLQLWFZHKK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2

Weigh it out

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Names and synonyms

4 names
  • Benzenamine, 3-fluoro-2-nitro-
  • Aniline, 3-fluoro-2-nitro-
  • 3-Fluoro-2-nitroaniline
  • (3-Fluoro-2-nitrophenyl)amine

Work with 3-Fluoro-2-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-2-nitrobenzene19064-24-572 % similar 3-Chloro-2-nitrobenzenamine59483-54-462 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-262 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-562 % similar 3-Fluoro-2-nitrophenol385-01-360 % similar 3-Fluoro-2-nitrobenzonitrile1000339-52-555 % similar 3-Nitro-1,2-phenylenediamine3694-52-854 % similar 3-Fluoro-2-nitrobenzoic acid1000339-51-453 % 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 4-Fluoro-2-nitroaniline364-78-3

Elsewhere

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