chempirical

2-Nitrobenzaldehyde oxime

C7H6N2O3CAS 6635-41-2166.14 g/mol

Open in Covalent MOL file
ON+O−NHO
NitroOxime

Properties

Molecular formula
C7H6N2O3
Molar mass
166.14 g/mol
Exact mass
166.0378 Da
Melting point
97 °C
logP
1.40Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
6635-41-2
SMILES
O=[N+]([O-])c1ccccc1C=NO
InChIKey
IHMGDCCTWRRUDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O3/c10-8-5-6-3-1-2-4-7(6)9(11)12/h1-5,10H

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Names and synonyms

6 names
  • Benzaldehyde, 2-nitro-, oxime
  • Benzaldehyde, o-nitro-, oxime
  • o-Nitrobenzaldehyde oxime
  • o-Nitrobenzaldoxime
  • 2-Nitrobenzaldoxime
  • NSC 52215

Work with 2-Nitrobenzaldehyde oxime

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

1,2-Dinitrobenzene528-29-053 % similar 2-Nitrocinnamaldehyde1466-88-253 % similar 3-(2-Nitrophenyl)-2-propenoic acid612-41-951 % similar Nitrophenol88-75-549 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-448 % similar 2-Nitrobenzyl alcohol612-25-946 % similar 2-Bromobenzaldoxime34158-72-046 % similar 2,6-Dinitrophenol573-56-846 % similar

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

Same formula

4-Nitrobenzaldehyde oxime1129-37-9 2-Nitrobenzamide610-15-1 4-Nitrobenzamide619-80-7 3-Nitrobenzamide645-09-0

Elsewhere

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