chempirical

2-Hydroxy-3-methoxy-5-nitrobenzaldehyde

C8H7NO5CAS 17028-61-4197.15 g/mol

Open in Covalent MOL file
OHOON+OO−
AldehydeEtherNitroPhenol

Properties

Molecular formula
C8H7NO5
Molar mass
197.15 g/mol
Exact mass
197.0324 Da
logP
1.12Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 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
17028-61-4
SMILES
COC1=CC(=CC(=C1O)C=O)[N+](=O)[O-]
InChIKey
HGKHVFKBOHFYSS-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3

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Work with 2-Hydroxy-3-methoxy-5-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

2-Methoxy-4-nitrobenzaldehyde136507-15-866 % similar 3,5-Dinitrosalicylaldehyde2460-59-563 % similar 5-Nitrovanillin6635-20-761 % similar 3-Bromo-2-hydroxy-5-nitrobenzaldehyde16789-84-760 % similar 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde34549-69-459 % similar DMNB20357-25-957 % similar 5-Bromo-2-hydroxy-3-methoxybenzaldehyde5034-74-257 % similar 2-Methoxy-4-nitrophenol3251-56-753 % similar

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

Same formula

4-Hydroxy-3-nitrophenylacetic acid10463-20-4 6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 Methyl 5-nitrosalicylate17302-46-4 (4-Nitrophenoxy)acetic acid1798-11-4 2-Nitrophenoxyacetic acid1878-87-1 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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