chempirical

5-Methoxy-2-nitrobenzaldehyde

C8H7NO4CAS 20357-24-8181.15 g/mol

Open in Covalent MOL file
ON+OO−O
AldehydeEtherNitro

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
logP
1.42Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
20357-24-8
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])C=O
InChIKey
BNTDDWPHSMILHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3

Weigh it out

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

Work with 5-Methoxy-2-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-Methoxy-2-nitrobenzaldehyde22996-21-078 % similar 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde34549-69-466 % similar DMNB20357-25-964 % similar 5-Methoxy-2-nitrobenzenamine16133-49-663 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-763 % similar 3-Methyl-4-nitroanisole5367-32-862 % similar 4-Nitro-3-iodoanisole214279-40-060 % similar 5-Methoxy-2-nitrophenol704-14-360 % similar

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

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

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