chempirical

5-Hydroxy-2-nitrobenzaldehyde

C7H5NO4CAS 42454-06-8167.12 g/mol

Open in Covalent MOL file
OOHN+OO−
AldehydeNitroPhenol

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
Melting point
167 °C
logP
1.11Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
42454-06-8
SMILES
O=Cc1cc(O)ccc1[N+](=O)[O-]
InChIKey
XLYPHUGUKGMURE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 5-hydroxy-2-nitro-
  • 2-Nitro-5-hydroxybenzaldehyde
  • 3-Formyl-4-nitrophenol
  • NSC 93899
  • 3-Hydroxy-6-nitrobenzaldehyde

Work with 5-Hydroxy-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

5-Bromo-2-nitrobenzaldehyde20357-20-467 % similar 5-Fluoro-2-nitrobenzaldehyde395-81-362 % similar 5-Chloro-2-nitrobenzaldehyde6628-86-062 % similar 3-Methyl-4-nitrophenol2581-34-257 % similar 3-Fluoro-4-nitrophenol394-41-257 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-255 % similar 3,5-Dinitrosalicylaldehyde2460-59-554 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-454 % similar

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

Same formula

2,5-Pyridinedicarboxylic acid100-26-5 3-Nitrobenzoic acid121-92-6 4-Nitrophenyl formate1865-01-6 3-(5-Nitro-2-furyl)acrolein1874-22-2 2-Hydroxy-4-nitrobenzaldehyde2460-58-4 6-Nitro-1,3-benzodioxole2620-44-2 4-Hydroxy-3-nitrobenzaldehyde3011-34-5 Cinchomeronic acid490-11-9

Elsewhere

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