chempirical

1-(4-Fluoro-3-nitrophenyl)ethanone

C8H6FNO3CAS 400-93-1183.14 g/mol

Open in Covalent MOL file
OFN+OO−
HalogenKetoneNitroTertiary Amine

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

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

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

Names and synonyms

6 names
  • 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 1-(4-Fluoro-3-nitrophenyl)ethanone

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

Elsewhere

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