chempirical

5-Fluoro-2-nitrobenzaldehyde

C7H4FNO3CAS 395-81-3169.11 g/mol

Open in Covalent MOL file
OFN+OO−
AldehydeAryl halideNitro

Properties

Molecular formula
C7H4FNO3
Molar mass
169.11 g/mol
Exact mass
169.0175 Da
Melting point
94–95 °C
logP
1.55Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
395-81-3
SMILES
O=Cc1cc(F)ccc1[N+](=O)[O-]
InChIKey
KKAFVHUJZPVWND-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

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Names and synonyms

3 names
  • Benzaldehyde, 5-fluoro-2-nitro-
  • 3-Fluoro-6-nitrobenzaldehyde
  • 2-Nitro-5-fluorobenzaldehyde

Work with 5-Fluoro-2-nitrobenzaldehyde

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-dinitrobenzene364-53-466 % similar 5-Bromo-2-nitrobenzaldehyde20357-20-462 % similar 5-Hydroxy-2-nitrobenzaldehyde42454-06-862 % similar 5-Chloro-2-nitrobenzaldehyde6628-86-062 % similar 2,4-Difluoronitrobenzene446-35-560 % similar 2,5-Difluoronitrobenzene364-74-957 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-557 % similar 5-Fluoro-2-nitrobenzenamine2369-11-157 % similar

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

Same formula

2-Fluoro-5-nitrobenzaldehyde27996-87-8 4-Fluoro-2-nitrobenzaldehyde2923-96-8

Elsewhere

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