chempirical

3-Methoxy-2-nitrobenzaldehyde

C8H7NO4CAS 53055-05-3181.15 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
102 °C
logP
1.42Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
53055-05-3
SMILES
COc1cccc(C=O)c1[N+](=O)[O-]
InChIKey
GDTUACILWWLIJF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-13-7-4-2-3-6(5-10)8(7)9(11)12/h2-5H,1H3

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Names and synonyms

4 names
  • Benzaldehyde, 3-methoxy-2-nitro-
  • m-Anisaldehyde, 2-nitro-
  • 2-Nitro-3-methoxybenzaldehyde
  • NSC 172558

Work with 3-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-Methoxy-3-methyl-2-nitrobenzene5345-42-661 % similar 2,3-Dimethoxybenzaldehyde86-51-157 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-654 % similar Ortho-vanillin148-53-854 % similar O-Nitroanisole91-23-653 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-352 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-151 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-051 % 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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