chempirical

1-Methoxy-2-methyl-4-nitrobenzene

C8H9NO3CAS 50741-92-9167.16 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
63 °C
logP
1.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
50741-92-9
SMILES
COc1ccc([N+](=O)[O-])cc1C
InChIKey
QOZMIJZYJZQOBV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-methoxy-2-methyl-4-nitro-
  • Anisole, 2-methyl-4-nitro-
  • 2-Methyl-4-nitroanisole
  • 2-Methoxy-5-nitrotoluene
  • 4-Methoxy-3-methylnitrobenzene
  • 3-Methyl-4-methoxynitrobenzene

Work with 1-Methoxy-2-methyl-4-nitrobenzene

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

1,2-Dimethoxy-4-nitrobenzene709-09-173 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-169 % similar 5-Nitroguaiacol636-93-169 % similar 2,4-Dinitroanisole119-27-769 % similar 2-Methoxy-5-nitroaniline99-59-267 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-665 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-065 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-465 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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