chempirical

4'-Fluoro-3'-nitroacetophenone

C8H6FNO3CAS 400-93-1183.14 g/mol

Open in Covalent MOL file
OFN+OO−
Aryl halideKetoneNitro

Properties

Molecular formula
C8H6FNO3
Molar mass
183.14 g/mol
Exact mass
183.0332 Da
Melting point
49–50 °C
logP
1.94Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
400-93-1
SMILES
CC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIKey
PTCNZDJJIOLIKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

Weigh it out

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Names and synonyms

7 names
  • 1-(4-Fluoro-3-nitrophenyl)ethanone
  • Ethanone, 1-(4-fluoro-3-nitrophenyl)-
  • Acetophenone, 4′-fluoro-3′-nitro-
  • 4′-Fluoro-3′-nitroacetophenone
  • 4-Acetyl-1-fluoro-2-nitrobenzene
  • 3-Nitro-4-fluoroacetophenone
  • 1-(3-Nitro-4-fluorophenyl)ethan-1-one

Work with 4'-Fluoro-3'-nitroacetophenone

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-(4-Bromo-3-nitrophenyl)ethanone18640-58-967 % similar 3'-Nitro-4'-methylacetophenone5333-27-767 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-667 % similar 4-Fluoro-3-nitrobenzoic acid453-71-465 % similar 4-Hydroxy-3-nitroacetophenone6322-56-165 % similar Methyl 4-fluoro-3-nitrobenzoate329-59-964 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-962 % similar Ethyl 4-fluoro-3-nitrobenzoate367-80-660 % similar

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

Same formula

1-(2-Fluoro-5-nitrophenyl)ethan-1-one79110-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook