Benzaldehyde 4-nitrophenylhydrazone

C13H11N3O2CAS 3078-09-9241.25 g/mol

Open in Covalent MOL file
NNHN+OO−
HydrazoneNitroSecondary amine

Properties

Molecular formula
C13H11N3O2
Molar mass
241.25 g/mol
Exact mass
241.0851 Da
logP
3.04Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3078-09-9
SMILES
C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
NOIFWEYOLLHIMW-GXDHUFHOSA-N
InChI
InChI=1S/C13H11N3O2/c17-16(18)13-8-6-12(7-9-13)15-14-10-11-4-2-1-3-5-11/h1-10,15H/b14-10+

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Names and synonyms

1 names
  • Benzaldehyde, 2-(4-nitrophenyl)hydrazone

Work with Benzaldehyde 4-nitrophenylhydrazone

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

Benzaldehyde 2,4-dinitrophenylhydrazone1157-84-265 % similar Diphenylhydrazone588-64-759 % similar 4-Nitrodiphenylamine836-30-657 % similar 4-Nitrobenzaldehyde oxime1129-37-950 % similar Nitrobenzene98-95-350 % similar 4-Nitro-1,1'-biphenyl92-93-349 % similar 4′-Nitrobenzanilide3393-96-248 % similar p-Nitrophenylhydrazine hydrochloride636-99-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Salicylaldehyde isonicotinoylhydrazone495-84-1

Elsewhere

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