chempirical

1-Methoxy-4-methyl-2-nitrobenzene

C8H9NO3CAS 119-10-8167.16 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
Density
1.2025 g/mL (at 25 °C)
Melting point
8.5 °C
Boiling point
159 °C (at 15 Torr)
logP
1.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
119-10-8
SMILES
COc1ccc(C)cc1[N+](=O)[O-]
InChIKey
LGNMURXRPLMVJI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3

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Names and synonyms

5 names
  • Benzene, 1-methoxy-4-methyl-2-nitro-
  • Anisole, 4-methyl-2-nitro-
  • 4-Methyl-2-nitroanisole
  • 4-Methoxy-3-nitrotoluene
  • 2-Nitro-4-methylanisole

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

2-Methoxy-4-methyl-1-nitrobenzene38512-82-276 % similar 2,4-Dinitroanisole119-27-769 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-469 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-365 % similar 4-Methoxy-3-nitrobenzenamine577-72-065 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-465 % similar 3,4-Dinitrotoluene610-39-964 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-762 % 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 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 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

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