chempirical

Benzaldehyde 2,4-dinitrophenylhydrazone

C13H10N4O4CAS 1157-84-2286.25 g/mol

Open in Covalent MOL file
NNHN+OO−N+OO−
HydrazoneNitroSecondary amine

Properties

Molecular formula
C13H10N4O4
Molar mass
286.25 g/mol
Exact mass
286.0702 Da
logP
2.95Crippen estimate
Polar surface area
110.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1157-84-2
SMILES
C1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKey
DZPRPFUXOZTWAJ-NTEUORMPSA-N
InChI
InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H/b14-9+

Weigh it out

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

Work with Benzaldehyde 2,4-dinitrophenylhydrazone

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

Ethanal-2,4-dinitrophenylhydrazone1019-57-466 % similar 2,4-Dinitrodiphenylamine961-68-259 % similar 1-(2,4-Dinitrophenyl)-2-(propan-2-ylidene)hydrazine1567-89-155 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-250 % similar Disperse yellow 1119-15-346 % similar N-(2,4-Dinitrophenyl)glycine1084-76-044 % similar 2,4-Dinitrophenyl thiocyanate1594-56-543 % similar 2,4-Dinitrotoluene121-14-242 % similar

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

Elsewhere

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