4-Morpholino-3-nitrobenzaldehyde

C₁₁H₁₂N₂O₄CAS 300541-91-7236.23 g/mol

Open in Covalent MOL file

Aldehyde Ether Nitro Tertiary amine

Properties

Molecular formula: C₁₁H₁₂N₂O₄
Molar mass: 236.23 g/mol
Exact mass: 236.0797 Da
logP: 1.24Crippen estimate
Polar surface area: 72.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

300541-91-7

SMILES

C1COCCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChIKey

LIHKXKQSXJAHBN-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2O4/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2

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Names and synonyms

1 names

4-(4-Morpholino)-3-nitrobenzaldehyde

Work with 4-Morpholino-3-nitrobenzaldehyde

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-Bromo-3-nitrobenzaldehyde163596-75-651 % similar 4-Chloro-3-nitrobenzaldehyde16588-34-451 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-551 % similar 4-Methyl-3-nitrobenzaldehyde31680-07-651 % similar 4-Fluoro-3-nitrobenzaldehyde42564-51-251 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-751 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-651 % similar 4-(2,5-Diethoxy-4-nitrophenyl)morpholine86-16-849 % similar

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

Same formula

N-Hippurylglycine1145-32-0

Elsewhere

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