chempirical

5-Nitrosalicylaldehyde

C7H5NO4CAS 97-51-8167.12 g/mol

Open in Covalent MOL file
ON+OO−HO
AldehydeNitroPhenol

Properties

Molecular formula
C7H5NO4
Molar mass
167.12 g/mol
Exact mass
167.0219 Da
Melting point
126 °C
logP
1.11Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
97-51-8
SMILES
O=Cc1cc([N+](=O)[O-])ccc1O
InChIKey
IHFRMUGEILMHNU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H

Weigh it out

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

Names and synonyms

10 names
  • Benzaldehyde, 2-hydroxy-5-nitro-
  • Salicylaldehyde, 5-nitro-
  • 2-Hydroxy-5-nitrobenzaldehyde
  • 5-Nitro-2-hydroxybenzaldehyde
  • 6-Hydroxy-3-nitrobenzaldehyde
  • 2-Formyl-4-nitrophenol
  • NSC 881
  • NSC 97387
  • 5-Nitrosalicylaladhyde
  • 2-Hydroxy-5-nitrobenzaldehye

Work with 5-Nitrosalicylaldehyde

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-Nitrocatechol3316-09-464 % similar 2-Fluoro-5-nitrobenzaldehyde27996-87-862 % similar 2-Chloro-5-nitrobenzaldehyde6361-21-362 % similar 2,4-Dinitrophenol51-28-560 % similar 2-Methyl-4-nitrophenol99-53-658 % similar 3,5-Dinitrosalicylaldehyde2460-59-558 % similar 2-Methoxy-4-nitrobenzaldehyde136507-15-857 % similar 2-Bromo-4-nitrophenol5847-59-657 % 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 5-Hydroxy-2-nitrobenzaldehyde42454-06-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook