chempirical

3,5-Dinitrobenzaldehyde

C7H4N2O5CAS 14193-18-1196.12 g/mol

Open in Covalent MOL file
N+OO−N+OO−O
AldehydeNitro

Properties

Molecular formula
C7H4N2O5
Molar mass
196.12 g/mol
Exact mass
196.0120 Da
logP
1.32Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
14193-18-1
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C=O
InChIKey
YCTNWTBGSOCMRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-4H

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Names and synonyms

5 names
  • Benzaldehyde, 3,5-dinitro-
  • Benzaldehyde,3,5-dinitro
  • Benzaldehyde,3,5-dinitro-
  • 3.5-Dinitro-benzaldehyd
  • 3,5-Dinitro-benzaldehyde

Work with 3,5-Dinitrobenzaldehyde

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-Bromo-3,5-dinitrobenzene18242-39-252 % similar 3,5-Dinitroaniline618-87-152 % similar 3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-051 % similar 4-Bromo-3-nitrobenzaldehyde163596-75-651 % similar 3,5-Dinitrosalicylaldehyde2460-59-551 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-449 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-249 % similar 4-Chloro-3-nitrobenzaldehyde16588-34-447 % similar

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

Same formula

2,4-Dinitrobenzaldehyde528-75-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook