chempirical

4-Nitrobenzaldehyde oxime

C7H6N2O3CAS 1129-37-9166.14 g/mol

Open in Covalent MOL file
ON+O−NOH
NitroOxime

Properties

Molecular formula
C7H6N2O3
Molar mass
166.14 g/mol
Exact mass
166.0378 Da
Melting point
126–130 °C
logP
1.40Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
1129-37-9
SMILES
O=[N+]([O-])c1ccc(C=NO)cc1
InChIKey
WTLPAVBACRIHHC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H

Weigh it out

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

Names and synonyms

7 names
  • Benzaldehyde, 4-nitro-, oxime
  • Benzaldehyde, p-nitro-, oxime
  • p-Nitrobenzaldehyde oxime
  • p-Nitrobenzaldoxime
  • 4-Nitrobenzaldoxime
  • (4-Nitrobenzylidene)hydroxylamine
  • NSC 68355

Work with 4-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

4-Nitrobenzaldehyde555-16-856 % similar 1,4-Dinitrobenzene100-25-456 % similar 4-Nitrostyrene100-13-055 % similar 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-851 % similar 4-Nitrophenol100-02-750 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-150 % similar 4-Nitrocinnamaldehyde1734-79-850 % similar 4-Nitrocinnamic acid619-89-649 % similar

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

Same formula

2-Nitrobenzamide610-15-1 4-Nitrobenzamide619-80-7 3-Nitrobenzamide645-09-0 2-Nitrobenzaldehyde oxime6635-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook