chempirical

4-Methoxy-2-nitrobenzaldehyde

C8H7NO4CAS 22996-21-0181.15 g/mol

Open in Covalent MOL file
OON+OO−
AldehydeEtherNitro

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
95.5–96 °C
logP
1.42Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
22996-21-0
SMILES
COc1ccc(C=O)c([N+](=O)[O-])c1
InChIKey
KLTDQLIGNSBZPO-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3

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Names and synonyms

4 names
  • Benzaldehyde, 4-methoxy-2-nitro-
  • p-Anisaldehyde, 2-nitro-
  • 2-Nitro-4-methoxybenzaldehyde
  • NSC 617208

Work with 4-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

1,4-Dimethoxy-2-nitrobenzene89-39-463 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-562 % similar 4-Methoxy-2-nitroaniline96-96-862 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-360 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-560 % similar 5-Methoxy-2-nitrophenol704-14-360 % similar 5-Methoxy-2-nitrobenzenamine16133-49-659 % similar 4-Fluoro-2-nitrobenzaldehyde2923-96-859 % 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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