chempirical

2-Hydroxy-3-nitrobenzaldehyde

C7H5NO4CAS 5274-70-4167.12 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
108–109 °C
logP
1.11Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
5274-70-4
SMILES
O=Cc1cccc([N+](=O)[O-])c1O
InChIKey
NUGOTBXFVWXVTE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)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, 2-hydroxy-3-nitro-
  • Salicylaldehyde, 3-nitro-
  • 3-Nitro-2-hydroxybenzaldehyde
  • 3-Nitrosalicylaldehyde
  • NSC 38026

Work with 2-Hydroxy-3-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

2,6-Dinitrophenol573-56-868 % similar 3,5-Dinitrosalicylaldehyde2460-59-562 % similar 2-Bromo-6-nitrophenol13073-25-158 % similar 2-Chloro-6-nitrophenol603-86-158 % similar 2-Methyl-6-nitrophenol13073-29-557 % similar 2-Fluoro-6-nitrophenol1526-17-657 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-754 % similar 7-Nitro-1H-indole-3-carboxaldehyde10553-14-752 % 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

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