chempirical

4-Hydroxy-3-nitroacetophenone

C8H7NO4CAS 6322-56-1181.15 g/mol

Open in Covalent MOL file
OOHN+OO−
KetoneNitroPhenol

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
135 °C
logP
1.50Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
6322-56-1
SMILES
CC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIKey
MMNKVWGVSHRIJL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-(4-hydroxy-3-nitrophenyl)-
  • Acetophenone, 4′-hydroxy-3′-nitro-
  • 1-(4-Hydroxy-3-nitrophenyl)ethanone
  • 3′-Nitro-4′-hydroxyacetophenone
  • 4′-Hydroxy-3′-nitroacetophenone
  • 2-Nitro-4-acetylphenol
  • 4-Acetyl-2-nitrophenol
  • NSC 32113
  • (4-Hydroxy-3-nitrophenyl)ethan-1-one
  • 1-(4-Hydroxy-3-nitrophenyl)ethan-1-one

Work with 4-Hydroxy-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 1-(4-Methyl-3-nitrophenyl)ethanone5333-27-767 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-667 % similar 4-Hydroxy-3-nitrobenzoic acid616-82-067 % similar 1-(4-Fluoro-3-nitrophenyl)ethanone400-93-165 % similar Methyl 4-hydroxy-3-nitrobenzoate99-42-364 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-962 % similar 4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-660 % similar

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

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

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