4-(4-Nitrobenzyloxy)benzaldehyde

C₁₄H₁₁NO₄CAS 67565-48-4257.25 g/mol

Open in Covalent MOL file

Aldehyde Ether Nitro

Properties

Molecular formula: C₁₄H₁₁NO₄
Molar mass: 257.25 g/mol
Exact mass: 257.0688 Da
logP: 2.99Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

67565-48-4

SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)[N+](=O)[O-]

InChIKey

RIYUFYPNHRLRON-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2

Weigh it out

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

Work with 4-(4-Nitrobenzyloxy)benzaldehyde

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-Nitrobenzaldehyde555-16-866 % similar 3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde81307-09-763 % similar 4-(Benzyloxy)benzaldehyde4397-53-959 % similar 4-[(4-Bromophenyl)methoxy]benzaldehyde149833-95-459 % similar 4-[(4-Fluorophenyl)methoxy]benzaldehyde56442-17-259 % similar P-Nitrophenetole100-29-851 % similar 4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde66742-56-151 % similar (4-Nitrophenoxy)acetic acid1798-11-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Acetyl-4'-nitrodiphenyl ether75919-92-5

Elsewhere

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