3,5-Dinitrosalicylaldehyde

C₇H₄N₂O₆CAS 2460-59-5212.12 g/mol

Open in Covalent MOL file

Aldehyde Nitro Phenol

Properties

Molecular formula: C₇H₄N₂O₆
Molar mass: 212.12 g/mol
Exact mass: 212.0069 Da
Melting point: 58–60 °C
logP: 1.02Crippen estimate
Polar surface area: 123.6 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Identifiers

CAS number

2460-59-5

SMILES

O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

InChIKey

FLJXIBHYDIMYRS-UHFFFAOYSA-N

InChI

InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 2-hydroxy-3,5-dinitro-
Salicylaldehyde, 3,5-dinitro-
2-Hydroxy-3,5-dinitrobenzaldehyde
3,5-Dinitro-2-hydroxybenzaldehyde

Work with 3,5-Dinitrosalicylaldehyde

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

Picric acid88-89-171 % similar Dunnite131-74-865 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-462 % similar 2-Chloro-4,6-dinitrophenol946-31-661 % similar 2-Methyl-4,6-dinitrophenol534-52-159 % similar Picramic acid96-91-359 % similar 3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-058 % similar 5-Nitrosalicylaldehyde97-51-858 % similar

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

Same formula

3,4-Dinitrobenzoic acid528-45-0 2,5-Dinitrobenzoic acid610-28-6 2,4-Dinitrobenzoic acid610-30-0 3,5-Dinitrobenzoic acid99-34-3

Elsewhere

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